N-methyl-3-(4-phenylphenyl)-3-(tetrazol-2-yl)propan-1-amine

C17H19N5 — CID 44540991

IUPACN-methyl-3-(4-phenylphenyl)-3-(tetrazol-2-yl)propan-1-amine
SMILESCNCCC(c1ccc(-c2ccccc2)cc1)n1ncnn1
InChIInChI=1S/C17H19N5/c1-18-12-11-17(22-20-13-19-21-22)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,13,17-18H,11-12H2,1H3
InChIKeySDDCKRNNMXMVDD-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.54
Rot. Bonds6

About N-methyl-3-(4-phenylphenyl)-3-(tetrazol-2-yl)propan-1-amine

N-methyl-3-(4-phenylphenyl)-3-(tetrazol-2-yl)propan-1-amine (PubChem CID 44540991) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-methyl-3-(4-phenylphenyl)-3-(tetrazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(4-phenylphenyl)-3-(tetrazol-2-yl)propan-1-amine
PubChem CID44540991
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC NameN-methyl-3-(4-phenylphenyl)-3-(tetrazol-2-yl)propan-1-amine
SMILESCNCCC(c1ccc(-c2ccccc2)cc1)n1ncnn1
InChIInChI=1S/C17H19N5/c1-18-12-11-17(22-20-13-19-21-22)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,13,17-18H,11-12H2,1H3
InChIKeySDDCKRNNMXMVDD-UHFFFAOYSA-N
XLogP2.54
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methoxynaphthalen-2-yl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine
CID 44541078
(3R)-3-(benzotriazol-2-yl)-3-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 66677303
N-methyl-3-phenyl-3-pyrazol-1-ylpropan-1-amine
CID 141401683
3-indazol-1-yl-N-methyl-3-phenylpropan-1-amine
CID 58088507
N-methyl-3,3-diphenylpropan-1-amine;hydrochloride
CID 21467371
N-methyl-2-phenyl-2-(5-phenyltetrazol-2-yl)ethanamine
CID 62448473
1-[3-(methylamino)-1-phenylpropyl]indazole-5-carbonitrile
CID 67266662
3-(4-fluorophenyl)-3-indol-1-yl-N-methylpropan-1-amine
CID 58088567
(3R)-3-(3,3-dimethyl-2H-indol-1-yl)-N-methyl-3-phenylpropan-1-amine
CID 58838563
3-(methylamino)-3-(4-phenylphenyl)propan-1-ol
CID 64813021
3-(3-cyclopropyl-2H-benzimidazol-1-yl)-N-methyl-3-phenylpropan-1-amine
CID 174549485
3-[3-(3,4-dichlorophenyl)indol-1-yl]-3-(3-fluorophenyl)-N-methylpropan-1-amine
CID 141127005

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-phenylphenyl)-3-(tetrazol-2-yl)propan-1-amine?
The IUPAC name of N-methyl-3-(4-phenylphenyl)-3-(tetrazol-2-yl)propan-1-amine (CID 44540991) is N-methyl-3-(4-phenylphenyl)-3-(tetrazol-2-yl)propan-1-amine.
What is the SMILES notation for N-methyl-3-(4-phenylphenyl)-3-(tetrazol-2-yl)propan-1-amine?
The canonical SMILES for N-methyl-3-(4-phenylphenyl)-3-(tetrazol-2-yl)propan-1-amine is CNCCC(c1ccc(-c2ccccc2)cc1)n1ncnn1.
What is the InChIKey of N-methyl-3-(4-phenylphenyl)-3-(tetrazol-2-yl)propan-1-amine?
The InChIKey is SDDCKRNNMXMVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5/c1-18-12-11-17(22-20-13-19-21-22)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,13,17-18H,11-12H2,1H3.
What are the key properties of N-methyl-3-(4-phenylphenyl)-3-(tetrazol-2-yl)propan-1-amine?
N-methyl-3-(4-phenylphenyl)-3-(tetrazol-2-yl)propan-1-amine has a molecular weight of 293.37 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-phenylphenyl)-3-(tetrazol-2-yl)propan-1-amine is sourced from PubChem (CID 44540991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).