(1R)-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenyl-N-(thiophen-2-ylmethyl)methanamine

C21H21N5S — CID 7463843

IUPAC(1R)-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenyl-N-(thiophen-2-ylmethyl)methanamine
SMILESCc1ccccc1-n1nnnc1[C@@H](c1ccccc1)N(C)Cc1cccs1
InChIInChI=1S/C21H21N5S/c1-16-9-6-7-13-19(16)26-21(22-23-24-26)20(17-10-4-3-5-11-17)25(2)15-18-12-8-14-27-18/h3-14,20H,15H2,1-2H3/t20-/m1/s1
InChIKeyWRNQHYUIKUNBCV-HXUWFJFHSA-N
MW375.50 g/mol
LogP4.25
Rot. Bonds6

About (1R)-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenyl-N-(thiophen-2-ylmethyl)methanamine

(1R)-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenyl-N-(thiophen-2-ylmethyl)methanamine (PubChem CID 7463843) has the molecular formula C21H21N5S and a molecular weight of 375.50 g/mol. Its IUPAC name is (1R)-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenyl-N-(thiophen-2-ylmethyl)methanamine.

Molecular Properties

Compound Name(1R)-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenyl-N-(thiophen-2-ylmethyl)methanamine
PubChem CID7463843
Molecular FormulaC21H21N5S
Molecular Weight375.50 g/mol
Exact Mass375.15
IUPAC Name(1R)-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenyl-N-(thiophen-2-ylmethyl)methanamine
SMILESCc1ccccc1-n1nnnc1[C@@H](c1ccccc1)N(C)Cc1cccs1
InChIInChI=1S/C21H21N5S/c1-16-9-6-7-13-19(16)26-21(22-23-24-26)20(17-10-4-3-5-11-17)25(2)15-18-12-8-14-27-18/h3-14,20H,15H2,1-2H3/t20-/m1/s1
InChIKeyWRNQHYUIKUNBCV-HXUWFJFHSA-N
XLogP4.25
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1S)-N-[(4-fluorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine
CID 7463822
N-[(3-chlorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine
CID 2867833
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
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
(1R)-N-(furan-2-ylmethyl)-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine
CID 7767880
N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]ethanamine
CID 103084956
3-[(R)-[benzyl(thiophen-2-ylmethyl)amino]-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 28503367
N-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 16539694
3-[methyl(thiophen-2-ylmethyl)amino]-3-phenylpropan-1-ol
CID 75514970

Frequently Asked Questions

What is the IUPAC name of (1R)-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenyl-N-(thiophen-2-ylmethyl)methanamine?
The IUPAC name of (1R)-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenyl-N-(thiophen-2-ylmethyl)methanamine (CID 7463843) is (1R)-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenyl-N-(thiophen-2-ylmethyl)methanamine.
What is the SMILES notation for (1R)-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenyl-N-(thiophen-2-ylmethyl)methanamine?
The canonical SMILES for (1R)-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenyl-N-(thiophen-2-ylmethyl)methanamine is Cc1ccccc1-n1nnnc1[C@@H](c1ccccc1)N(C)Cc1cccs1.
What is the InChIKey of (1R)-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenyl-N-(thiophen-2-ylmethyl)methanamine?
The InChIKey is WRNQHYUIKUNBCV-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H21N5S/c1-16-9-6-7-13-19(16)26-21(22-23-24-26)20(17-10-4-3-5-11-17)25(2)15-18-12-8-14-27-18/h3-14,20H,15H2,1-2H3/t20-/m1/s1.
What are the key properties of (1R)-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenyl-N-(thiophen-2-ylmethyl)methanamine?
(1R)-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenyl-N-(thiophen-2-ylmethyl)methanamine has a molecular weight of 375.50 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenyl-N-(thiophen-2-ylmethyl)methanamine is sourced from PubChem (CID 7463843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).