1-(3-chlorophenyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine

C15H14ClN5 — CID 60671794

IUPAC1-(3-chlorophenyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
SMILESClc1cccc(CNCc2nnnn2-c2ccccc2)c1
InChIInChI=1S/C15H14ClN5/c16-13-6-4-5-12(9-13)10-17-11-15-18-19-20-21(15)14-7-2-1-3-8-14/h1-9,17H,10-11H2
InChIKeyKMPCGEVLOOLXQM-UHFFFAOYSA-N
MW299.77 g/mol
LogP2.61
Rot. Bonds5

About 1-(3-chlorophenyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine

1-(3-chlorophenyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine (PubChem CID 60671794) has the molecular formula C15H14ClN5 and a molecular weight of 299.77 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
PubChem CID60671794
Molecular FormulaC15H14ClN5
Molecular Weight299.77 g/mol
Exact Mass299.09
IUPAC Name1-(3-chlorophenyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
SMILESClc1cccc(CNCc2nnnn2-c2ccccc2)c1
InChIInChI=1S/C15H14ClN5/c16-13-6-4-5-12(9-13)10-17-11-15-18-19-20-21(15)14-7-2-1-3-8-14/h1-9,17H,10-11H2
InChIKeyKMPCGEVLOOLXQM-UHFFFAOYSA-N
XLogP2.61
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.77
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3-chlorophenyl)methylsulfanylmethyl]-1-phenyltetrazole
CID 52561068
3-chloro-N-[(1-phenyltetrazol-5-yl)methyl]benzenesulfonamide
CID 18565850
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 3031920
2-[[(1-phenyltetrazol-5-yl)methylamino]methyl]phenol
CID 115603162
2-methyl-4-[[(1-phenyltetrazol-5-yl)methylamino]methyl]benzonitrile
CID 167958343
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine;hydrochloride
CID 3031919
N-[[1-(3-chlorophenyl)tetrazol-5-yl]methyl]propan-2-amine
CID 62737561
5-[(3-chlorophenyl)methyl]-1-(4-methylphenyl)tetrazole
CID 6457710
N-[(3-chlorophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine
CID 9195387
2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine
CID 55108359
1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 62627608
5-[(1-phenyltetrazol-5-yl)methylamino]pentan-1-ol
CID 107317393

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(3-chlorophenyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine (CID 60671794) is 1-(3-chlorophenyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(3-chlorophenyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine is Clc1cccc(CNCc2nnnn2-c2ccccc2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine?
The InChIKey is KMPCGEVLOOLXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5/c16-13-6-4-5-12(9-13)10-17-11-15-18-19-20-21(15)14-7-2-1-3-8-14/h1-9,17H,10-11H2.
What are the key properties of 1-(3-chlorophenyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine?
1-(3-chlorophenyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine has a molecular weight of 299.77 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine is sourced from PubChem (CID 60671794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).