N-[(2-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-(4-methylphenyl)methanamine

C26H28ClN5O — CID 3193684

IUPACN-[(2-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-(4-methylphenyl)methanamine
SMILESCc1ccc(C(c2nnnn2C2CCCC2)N(Cc2ccco2)Cc2ccccc2Cl)cc1
InChIInChI=1S/C26H28ClN5O/c1-19-12-14-20(15-13-19)25(26-28-29-30-32(26)22-8-3-4-9-22)31(18-23-10-6-16-33-23)17-21-7-2-5-11-24(21)27/h2,5-7,10-16,22,25H,3-4,8-9,17-18H2,1H3
InChIKeyIIHLNLLQDDPNJO-UHFFFAOYSA-N
MW462.00 g/mol
LogP6.13
Rot. Bonds8

About N-[(2-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-(4-methylphenyl)methanamine

N-[(2-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-(4-methylphenyl)methanamine (PubChem CID 3193684) has the molecular formula C26H28ClN5O and a molecular weight of 462.00 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-(4-methylphenyl)methanamine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-(4-methylphenyl)methanamine
PubChem CID3193684
Molecular FormulaC26H28ClN5O
Molecular Weight462.00 g/mol
Exact Mass461.20
IUPAC NameN-[(2-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-(4-methylphenyl)methanamine
SMILESCc1ccc(C(c2nnnn2C2CCCC2)N(Cc2ccco2)Cc2ccccc2Cl)cc1
InChIInChI=1S/C26H28ClN5O/c1-19-12-14-20(15-13-19)25(26-28-29-30-32(26)22-8-3-4-9-22)31(18-23-10-6-16-33-23)17-21-7-2-5-11-24(21)27/h2,5-7,10-16,22,25H,3-4,8-9,17-18H2,1H3
InChIKeyIIHLNLLQDDPNJO-UHFFFAOYSA-N
XLogP6.13
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.00
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Furan-2-yl-(4-{[1-(tetrahydro-furan-2-ylmethyl)-1H-tetrazol-5-yl]-p-tolyl-methyl}-piperazin-1-yl)-methanone
CID 648836
[(1-tert-Butyl-1H-tetrazol-5-yl)-(4-fluoro-phenyl)-methyl]-furan-2-ylmethyl-(3-methoxy-benzyl)-amine
CID 648894
(4-{(4-Chloro-phenyl)-[1-(tetrahydro-furan-2-ylmethyl)-1H-tetrazol-5-yl]-methyl}-piperazin-1-yl)-furan-2-yl-methanone
CID 655364
(4-tert-Butyl-benzyl)-(1-cyclopentyl-1H-tetrazol-5-ylmethyl)-furan-2-ylmethyl-amine
CID 1439003
[(1-Cyclopentyl-1H-tetrazol-5-yl)-(4-fluoro-phenyl)-methyl]-furan-2-ylmethyl-(tetrahydro-furan-2-ylmethyl)-amine
CID 3193712
(4-{[1-(1,1-Dimethyl-propyl)-1H-tetrazol-5-yl]-p-tolyl-methyl}-piperazin-1-yl)-furan-2-yl-methanone
CID 3209098
1-(1-tert-butyl-5-tetrazolyl)-N-(2-furanylmethyl)-N-(phenylmethyl)-1-[4-(trifluoromethyl)phenyl]methanamine
CID 3229320
(4-{(2-Chloro-phenyl)-[1-(tetrahydro-furan-2-ylmethyl)-1H-tetrazol-5-yl]-methyl}-piperazin-1-yl)-furan-2-yl-methanone
CID 6602568
1-(5-Chloro-2-methyl-phenyl)-4-[1-(1-furan-2-ylmethyl-1H-tetrazol-5-yl)-butyl]-piperazine
CID 6603098
1-(5-Chloro-2-methyl-phenyl)-4-[1-(1-furan-2-ylmethyl-1H-tetrazol-5-yl)-propyl]-piperazine
CID 6603102
{4-[(2-Chloro-phenyl)-(1-furan-2-ylmethyl-1H-tetrazol-5-yl)-methyl]-piperazin-1-yl}-furan-2-yl-methanone
CID 6603551
(4-{(4-Chloro-phenyl)-[1-(2-methoxy-ethyl)-1H-tetrazol-5-yl]-methyl}-piperazin-1-yl)-furan-2-yl-methanone
CID 24792379

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-(4-methylphenyl)methanamine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-(4-methylphenyl)methanamine (CID 3193684) is N-[(2-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-(4-methylphenyl)methanamine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-(4-methylphenyl)methanamine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-(4-methylphenyl)methanamine is Cc1ccc(C(c2nnnn2C2CCCC2)N(Cc2ccco2)Cc2ccccc2Cl)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-(4-methylphenyl)methanamine?
The InChIKey is IIHLNLLQDDPNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN5O/c1-19-12-14-20(15-13-19)25(26-28-29-30-32(26)22-8-3-4-9-22)31(18-23-10-6-16-33-23)17-21-7-2-5-11-24(21)27/h2,5-7,10-16,22,25H,3-4,8-9,17-18H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-(4-methylphenyl)methanamine?
N-[(2-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-(4-methylphenyl)methanamine has a molecular weight of 462.00 g/mol, XLogP of 6.13, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-(4-methylphenyl)methanamine is sourced from PubChem (CID 3193684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).