N-[(3-chlorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine

C23H22ClN5 — CID 2867833

IUPACN-[(3-chlorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine
SMILESCc1ccccc1-n1nnnc1C(c1ccccc1)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C23H22ClN5/c1-17-9-6-7-14-21(17)29-23(25-26-27-29)22(19-11-4-3-5-12-19)28(2)16-18-10-8-13-20(24)15-18/h3-15,22H,16H2,1-2H3
InChIKeyXECRCZUHNWUOJC-UHFFFAOYSA-N
MW403.92 g/mol
LogP4.85
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine

N-[(3-chlorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine (PubChem CID 2867833) has the molecular formula C23H22ClN5 and a molecular weight of 403.92 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine
PubChem CID2867833
Molecular FormulaC23H22ClN5
Molecular Weight403.92 g/mol
Exact Mass403.16
IUPAC NameN-[(3-chlorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine
SMILESCc1ccccc1-n1nnnc1C(c1ccccc1)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C23H22ClN5/c1-17-9-6-7-14-21(17)29-23(25-26-27-29)22(19-11-4-3-5-12-19)28(2)16-18-10-8-13-20(24)15-18/h3-15,22H,16H2,1-2H3
InChIKeyXECRCZUHNWUOJC-UHFFFAOYSA-N
XLogP4.85
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.92
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine
CID 2867852
N-[(2,3-dichlorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine
CID 2867834
(1S)-N-[(4-fluorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine
CID 7463822
(1R)-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenyl-N-(thiophen-2-ylmethyl)methanamine
CID 7463843
4-bromo-2-methoxy-6-[[methyl-[[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]amino]methyl]phenol
CID 2867862
2-(dimethylamino)-N-methyl-N-[[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]acetamide
CID 46996075
N-[(3-chlorophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine
CID 9195387
N-methyl-N-[[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]-1H-pyrazole-5-carboxamide
CID 46999614
1-[1-(4-chlorophenyl)tetrazol-5-yl]-N,N-dimethyl-1-phenylmethanamine
CID 56689996
1-(4-chlorophenyl)-N,N-dimethyl-1-[1-(3-methylphenyl)tetrazol-5-yl]methanamine
CID 126478176
1-(5-chloro-2-methylphenyl)-5-[phenyl(pyrrolidin-1-yl)methyl]tetrazole
CID 171977006
5-[(2,4-dichlorophenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
CID 2390682

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine (CID 2867833) is N-[(3-chlorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine is Cc1ccccc1-n1nnnc1C(c1ccccc1)N(C)Cc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine?
The InChIKey is XECRCZUHNWUOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5/c1-17-9-6-7-14-21(17)29-23(25-26-27-29)22(19-11-4-3-5-12-19)28(2)16-18-10-8-13-20(24)15-18/h3-15,22H,16H2,1-2H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine?
N-[(3-chlorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine has a molecular weight of 403.92 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine is sourced from PubChem (CID 2867833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).