(1S)-N-[(4-fluorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine

C23H22FN5 — CID 7463822

IUPAC(1S)-N-[(4-fluorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine
SMILESCc1ccccc1-n1nnnc1[C@H](c1ccccc1)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C23H22FN5/c1-17-8-6-7-11-21(17)29-23(25-26-27-29)22(19-9-4-3-5-10-19)28(2)16-18-12-14-20(24)15-13-18/h3-15,22H,16H2,1-2H3/t22-/m0/s1
InChIKeyYHUKOHMQEUAYMO-QFIPXVFZSA-N
MW387.46 g/mol
LogP4.33
Rot. Bonds6

About (1S)-N-[(4-fluorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine

(1S)-N-[(4-fluorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine (PubChem CID 7463822) has the molecular formula C23H22FN5 and a molecular weight of 387.46 g/mol. Its IUPAC name is (1S)-N-[(4-fluorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine.

Molecular Properties

Compound Name(1S)-N-[(4-fluorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine
PubChem CID7463822
Molecular FormulaC23H22FN5
Molecular Weight387.46 g/mol
Exact Mass387.19
IUPAC Name(1S)-N-[(4-fluorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine
SMILESCc1ccccc1-n1nnnc1[C@H](c1ccccc1)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C23H22FN5/c1-17-8-6-7-11-21(17)29-23(25-26-27-29)22(19-9-4-3-5-10-19)28(2)16-18-12-14-20(24)15-13-18/h3-15,22H,16H2,1-2H3/t22-/m0/s1
InChIKeyYHUKOHMQEUAYMO-QFIPXVFZSA-N
XLogP4.33
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.33
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-[(3-chlorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine
CID 2867833
(1R)-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenyl-N-(thiophen-2-ylmethyl)methanamine
CID 7463843
N-[(2,3-dichlorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine
CID 2867834
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-methyl-N-[[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]-1H-pyrazole-5-carboxamide
CID 46999614
(1S)-N-benzyl-1-(1-tert-butyltetrazol-5-yl)-1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]methanamine
CID 25413953
N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]ethanamine
CID 103084956
(1R)-N-(furan-2-ylmethyl)-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine
CID 7767880
(1S)-1-(4-fluorophenyl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylmethanamine
CID 97076119
(2S)-N-(4-fluorophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 2505068

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(4-fluorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine?
The IUPAC name of (1S)-N-[(4-fluorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine (CID 7463822) is (1S)-N-[(4-fluorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine.
What is the SMILES notation for (1S)-N-[(4-fluorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine?
The canonical SMILES for (1S)-N-[(4-fluorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine is Cc1ccccc1-n1nnnc1[C@H](c1ccccc1)N(C)Cc1ccc(F)cc1.
What is the InChIKey of (1S)-N-[(4-fluorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine?
The InChIKey is YHUKOHMQEUAYMO-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H22FN5/c1-17-8-6-7-11-21(17)29-23(25-26-27-29)22(19-9-4-3-5-10-19)28(2)16-18-12-14-20(24)15-13-18/h3-15,22H,16H2,1-2H3/t22-/m0/s1.
What are the key properties of (1S)-N-[(4-fluorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine?
(1S)-N-[(4-fluorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine has a molecular weight of 387.46 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(4-fluorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine is sourced from PubChem (CID 7463822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).