N-[(3,4-difluorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine

C23H21F2N5 — CID 2867852

IUPACN-[(3,4-difluorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine
SMILESCc1ccccc1-n1nnnc1C(c1ccccc1)N(C)Cc1ccc(F)c(F)c1
InChIInChI=1S/C23H21F2N5/c1-16-8-6-7-11-21(16)30-23(26-27-28-30)22(18-9-4-3-5-10-18)29(2)15-17-12-13-19(24)20(25)14-17/h3-14,22H,15H2,1-2H3
InChIKeyBTHJLGHCQZMJFY-UHFFFAOYSA-N
MW405.45 g/mol
LogP4.47
Rot. Bonds6

About N-[(3,4-difluorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine

N-[(3,4-difluorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine (PubChem CID 2867852) has the molecular formula C23H21F2N5 and a molecular weight of 405.45 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine
PubChem CID2867852
Molecular FormulaC23H21F2N5
Molecular Weight405.45 g/mol
Exact Mass405.18
IUPAC NameN-[(3,4-difluorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine
SMILESCc1ccccc1-n1nnnc1C(c1ccccc1)N(C)Cc1ccc(F)c(F)c1
InChIInChI=1S/C23H21F2N5/c1-16-8-6-7-11-21(16)30-23(26-27-28-30)22(18-9-4-3-5-10-18)29(2)15-17-12-13-19(24)20(25)14-17/h3-14,22H,15H2,1-2H3
InChIKeyBTHJLGHCQZMJFY-UHFFFAOYSA-N
XLogP4.47
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
(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
1-[1-(4-chlorophenyl)tetrazol-5-yl]-N,N-dimethyl-1-phenylmethanamine
CID 56689996
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
5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
CID 7646433
1-(5-chloro-2-methylphenyl)-5-[phenyl(pyrrolidin-1-yl)methyl]tetrazole
CID 171977006

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine (CID 2867852) is N-[(3,4-difluorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine is Cc1ccccc1-n1nnnc1C(c1ccccc1)N(C)Cc1ccc(F)c(F)c1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine?
The InChIKey is BTHJLGHCQZMJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N5/c1-16-8-6-7-11-21(16)30-23(26-27-28-30)22(18-9-4-3-5-10-18)29(2)15-17-12-13-19(24)20(25)14-17/h3-14,22H,15H2,1-2H3.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine?
N-[(3,4-difluorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine has a molecular weight of 405.45 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine is sourced from PubChem (CID 2867852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).