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

C14H19FN4 — CID 97230173

IUPAC(2S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(4-fluorophenyl)propan-2-amine
SMILESCCn1cnnc1CN[C@@H](C)Cc1ccc(F)cc1
InChIInChI=1S/C14H19FN4/c1-3-19-10-17-18-14(19)9-16-11(2)8-12-4-6-13(15)7-5-12/h4-7,10-11,16H,3,8-9H2,1-2H3/t11-/m0/s1
InChIKeyWOKKYRIYHTULQA-NSHDSACASA-N
MW262.33 g/mol
LogP2.16
Rot. Bonds6

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

(2S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(4-fluorophenyl)propan-2-amine (PubChem CID 97230173) has the molecular formula C14H19FN4 and a molecular weight of 262.33 g/mol. Its IUPAC name is (2S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(4-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name(2S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(4-fluorophenyl)propan-2-amine
PubChem CID97230173
Molecular FormulaC14H19FN4
Molecular Weight262.33 g/mol
Exact Mass262.16
IUPAC Name(2S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(4-fluorophenyl)propan-2-amine
SMILESCCn1cnnc1CN[C@@H](C)Cc1ccc(F)cc1
InChIInChI=1S/C14H19FN4/c1-3-19-10-17-18-14(19)9-16-11(2)8-12-4-6-13(15)7-5-12/h4-7,10-11,16H,3,8-9H2,1-2H3/t11-/m0/s1
InChIKeyWOKKYRIYHTULQA-NSHDSACASA-N
XLogP2.16
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(5-fluoro-2-pyridinyl)ethanamine
CID 103894751
1-(2-bromo-4-fluorophenyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 103777561
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methoxy-4-methylpentan-2-amine
CID 113260218
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]octan-2-amine
CID 103777665
1-(4-fluorophenyl)-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine
CID 66130587
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-fluoropyridin-2-amine
CID 106303313
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 103777568
N-[(4-propyl-1,2,4-triazol-3-yl)methyl]butan-2-amine
CID 62694664
N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 60956706
methyl 5-[1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]ethyl]furan-2-carboxylate
CID 106303461
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 113232249
1-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)propan-2-amine
CID 115600103

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(4-fluorophenyl)propan-2-amine?
The IUPAC name of (2S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(4-fluorophenyl)propan-2-amine (CID 97230173) is (2S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(4-fluorophenyl)propan-2-amine.
What is the SMILES notation for (2S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(4-fluorophenyl)propan-2-amine?
The canonical SMILES for (2S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(4-fluorophenyl)propan-2-amine is CCn1cnnc1CN[C@@H](C)Cc1ccc(F)cc1.
What is the InChIKey of (2S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(4-fluorophenyl)propan-2-amine?
The InChIKey is WOKKYRIYHTULQA-NSHDSACASA-N. The full InChI is InChI=1S/C14H19FN4/c1-3-19-10-17-18-14(19)9-16-11(2)8-12-4-6-13(15)7-5-12/h4-7,10-11,16H,3,8-9H2,1-2H3/t11-/m0/s1.
What are the key properties of (2S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(4-fluorophenyl)propan-2-amine?
(2S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(4-fluorophenyl)propan-2-amine has a molecular weight of 262.33 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(4-fluorophenyl)propan-2-amine is sourced from PubChem (CID 97230173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).