(1S)-N-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylethanamine

C24H23FN4 — CID 124824981

IUPAC(1S)-N-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylethanamine
SMILESC[C@H](NCc1nn(Cc2ccccc2F)nc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23FN4/c1-18(19-10-4-2-5-11-19)26-16-23-24(20-12-6-3-7-13-20)28-29(27-23)17-21-14-8-9-15-22(21)25/h2-15,18,26H,16-17H2,1H3/t18-/m0/s1
InChIKeyNJXYPPWPKLGXME-SFHVURJKSA-N
MW386.47 g/mol
LogP4.98
Rot. Bonds7

About (1S)-N-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylethanamine

(1S)-N-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylethanamine (PubChem CID 124824981) has the molecular formula C24H23FN4 and a molecular weight of 386.47 g/mol. Its IUPAC name is (1S)-N-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylethanamine.

Molecular Properties

Compound Name(1S)-N-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylethanamine
PubChem CID124824981
Molecular FormulaC24H23FN4
Molecular Weight386.47 g/mol
Exact Mass386.19
IUPAC Name(1S)-N-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylethanamine
SMILESC[C@H](NCc1nn(Cc2ccccc2F)nc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23FN4/c1-18(19-10-4-2-5-11-19)26-16-23-24(20-12-6-3-7-13-20)28-29(27-23)17-21-14-8-9-15-22(21)25/h2-15,18,26H,16-17H2,1H3/t18-/m0/s1
InChIKeyNJXYPPWPKLGXME-SFHVURJKSA-N
XLogP4.98
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-N-[[2-[(2,4-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylethanamine
CID 124824295
N-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-2-methylpropan-2-amine
CID 124825153
N-[[2-[(2-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-2-amine
CID 124805517
N-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 125114903
N-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclohexanamine
CID 124781673
4-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]butan-1-ol
CID 124787438
N-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-piperidin-4-ylmethanamine
CID 125114551
N-[(2-fluorophenyl)methyl]-1-pyridin-4-ylethanamine
CID 43178816
(2S)-N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-4-phenylbutan-2-amine
CID 124821452
(1R)-N-[[2-[(2,4-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylbutan-1-amine
CID 124823989
(2S)-2-[[2-[(2-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]butan-1-ol
CID 124821957
2-methyl-N-[[2-[(2-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-2-amine
CID 124818737

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylethanamine?
The IUPAC name of (1S)-N-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylethanamine (CID 124824981) is (1S)-N-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylethanamine.
What is the SMILES notation for (1S)-N-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylethanamine?
The canonical SMILES for (1S)-N-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylethanamine is C[C@H](NCc1nn(Cc2ccccc2F)nc1-c1ccccc1)c1ccccc1.
What is the InChIKey of (1S)-N-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylethanamine?
The InChIKey is NJXYPPWPKLGXME-SFHVURJKSA-N. The full InChI is InChI=1S/C24H23FN4/c1-18(19-10-4-2-5-11-19)26-16-23-24(20-12-6-3-7-13-20)28-29(27-23)17-21-14-8-9-15-22(21)25/h2-15,18,26H,16-17H2,1H3/t18-/m0/s1.
What are the key properties of (1S)-N-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylethanamine?
(1S)-N-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylethanamine has a molecular weight of 386.47 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylethanamine is sourced from PubChem (CID 124824981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).