(1R)-N-(furan-2-ylmethyl)-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine

C20H19N5O — CID 7767880

IUPAC(1R)-N-(furan-2-ylmethyl)-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine
SMILESCc1ccccc1-n1nnnc1[C@H](NCc1ccco1)c1ccccc1
InChIInChI=1S/C20H19N5O/c1-15-8-5-6-12-18(15)25-20(22-23-24-25)19(16-9-3-2-4-10-16)21-14-17-11-7-13-26-17/h2-13,19,21H,14H2,1H3/t19-/m1/s1
InChIKeyWLBUQJRWNKGAOU-LJQANCHMSA-N
MW345.41 g/mol
LogP3.44
Rot. Bonds6

About (1R)-N-(furan-2-ylmethyl)-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine

(1R)-N-(furan-2-ylmethyl)-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine (PubChem CID 7767880) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is (1R)-N-(furan-2-ylmethyl)-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine.

Molecular Properties

Compound Name(1R)-N-(furan-2-ylmethyl)-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine
PubChem CID7767880
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name(1R)-N-(furan-2-ylmethyl)-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine
SMILESCc1ccccc1-n1nnnc1[C@H](NCc1ccco1)c1ccccc1
InChIInChI=1S/C20H19N5O/c1-15-8-5-6-12-18(15)25-20(22-23-24-25)19(16-9-3-2-4-10-16)21-14-17-11-7-13-26-17/h2-13,19,21H,14H2,1H3/t19-/m1/s1
InChIKeyWLBUQJRWNKGAOU-LJQANCHMSA-N
XLogP3.44
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-1,1-diphenylmethanamine
CID 15830516
(1R)-N-(furan-2-ylmethyl)-1-(1-methylimidazol-2-yl)-1-phenylmethanamine
CID 94189098
(1R)-N-(furan-2-ylmethyl)-1-(1-methylbenzimidazol-2-yl)-1-phenylmethanamine
CID 95567515
N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]ethanamine
CID 103084956
1-(2,3-dimethylphenyl)-4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]-phenylmethyl]piperazine
CID 3210069
3-[(2R)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-methyl-N-[(R)-[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]propanamide
CID 42482787
3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-methyl-N-[[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]propanamide
CID 45206144
(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
2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 6491269
2-(dimethylamino)-N-methyl-N-[[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]acetamide
CID 46996075
5-[(1S)-1-(furan-2-ylmethylsulfanyl)ethyl]-1-phenyltetrazole
CID 124506400

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(furan-2-ylmethyl)-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine?
The IUPAC name of (1R)-N-(furan-2-ylmethyl)-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine (CID 7767880) is (1R)-N-(furan-2-ylmethyl)-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine.
What is the SMILES notation for (1R)-N-(furan-2-ylmethyl)-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine?
The canonical SMILES for (1R)-N-(furan-2-ylmethyl)-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine is Cc1ccccc1-n1nnnc1[C@H](NCc1ccco1)c1ccccc1.
What is the InChIKey of (1R)-N-(furan-2-ylmethyl)-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine?
The InChIKey is WLBUQJRWNKGAOU-LJQANCHMSA-N. The full InChI is InChI=1S/C20H19N5O/c1-15-8-5-6-12-18(15)25-20(22-23-24-25)19(16-9-3-2-4-10-16)21-14-17-11-7-13-26-17/h2-13,19,21H,14H2,1H3/t19-/m1/s1.
What are the key properties of (1R)-N-(furan-2-ylmethyl)-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine?
(1R)-N-(furan-2-ylmethyl)-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine has a molecular weight of 345.41 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(furan-2-ylmethyl)-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine is sourced from PubChem (CID 7767880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).