(1S)-1-(4-fluorophenyl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylmethanamine

C18H19FN4 — CID 97076119

IUPAC(1S)-1-(4-fluorophenyl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylmethanamine
SMILESCN(Cc1nncn1C)[C@@H](c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C18H19FN4/c1-22(12-17-21-20-13-23(17)2)18(14-6-4-3-5-7-14)15-8-10-16(19)11-9-15/h3-11,13,18H,12H2,1-2H3/t18-/m0/s1
InChIKeyLAXHSKNVYMUXMM-SFHVURJKSA-N
MW310.38 g/mol
LogP3.18
Rot. Bonds5

About (1S)-1-(4-fluorophenyl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylmethanamine

(1S)-1-(4-fluorophenyl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylmethanamine (PubChem CID 97076119) has the molecular formula C18H19FN4 and a molecular weight of 310.38 g/mol. Its IUPAC name is (1S)-1-(4-fluorophenyl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound Name(1S)-1-(4-fluorophenyl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylmethanamine
PubChem CID97076119
Molecular FormulaC18H19FN4
Molecular Weight310.38 g/mol
Exact Mass310.16
IUPAC Name(1S)-1-(4-fluorophenyl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylmethanamine
SMILESCN(Cc1nncn1C)[C@@H](c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C18H19FN4/c1-22(12-17-21-20-13-23(17)2)18(14-6-4-3-5-7-14)15-8-10-16(19)11-9-15/h3-11,13,18H,12H2,1-2H3/t18-/m0/s1
InChIKeyLAXHSKNVYMUXMM-SFHVURJKSA-N
XLogP3.18
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1S)-1-(4-fluorophenyl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylmethanamine with MolForge

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Related Compounds

1-[[[(4-fluorophenyl)-phenylmethyl]-methylamino]methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 18144894
3-[(4-fluorophenyl)methyl]-4-methyl-1,2,4-triazole
CID 115395245
2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetonitrile
CID 51075291
2-[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]acetonitrile
CID 94600297
N-(1,3-benzoxazol-2-ylmethyl)-1-(4-fluorophenyl)-N-methyl-1-phenylmethanamine
CID 18144888
N-methyl-N-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]sulfamoyl]-1-phenylmethanamine
CID 131891219
1-(4-fluorophenyl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol
CID 63332212
(1R)-1-(4-fluorophenyl)-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-phenylmethanamine
CID 30943877
(1R)-1-(4-fluorophenyl)-N-methyl-N-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylmethanamine
CID 42088586
(1S)-N-[(4-fluorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine
CID 7463822
2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylpropan-1-amine
CID 54896093
3-[bis(4-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazole
CID 47004082

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-fluorophenyl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylmethanamine?
The IUPAC name of (1S)-1-(4-fluorophenyl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylmethanamine (CID 97076119) is (1S)-1-(4-fluorophenyl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylmethanamine.
What is the SMILES notation for (1S)-1-(4-fluorophenyl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylmethanamine?
The canonical SMILES for (1S)-1-(4-fluorophenyl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylmethanamine is CN(Cc1nncn1C)[C@@H](c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of (1S)-1-(4-fluorophenyl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylmethanamine?
The InChIKey is LAXHSKNVYMUXMM-SFHVURJKSA-N. The full InChI is InChI=1S/C18H19FN4/c1-22(12-17-21-20-13-23(17)2)18(14-6-4-3-5-7-14)15-8-10-16(19)11-9-15/h3-11,13,18H,12H2,1-2H3/t18-/m0/s1.
What are the key properties of (1S)-1-(4-fluorophenyl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylmethanamine?
(1S)-1-(4-fluorophenyl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylmethanamine has a molecular weight of 310.38 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-fluorophenyl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 97076119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).