(1S)-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine

C14H15FN2 — CID 28669780

IUPAC(1S)-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine
SMILESC[C@H](NCc1ccncc1)c1ccc(F)cc1
InChIInChI=1S/C14H15FN2/c1-11(13-2-4-14(15)5-3-13)17-10-12-6-8-16-9-7-12/h2-9,11,17H,10H2,1H3/t11-/m0/s1
InChIKeyDMLPPNXHWIKRIZ-NSHDSACASA-N
MW230.29 g/mol
LogP3.07
Rot. Bonds4

About (1S)-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine

(1S)-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine (PubChem CID 28669780) has the molecular formula C14H15FN2 and a molecular weight of 230.29 g/mol. Its IUPAC name is (1S)-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine
PubChem CID28669780
Molecular FormulaC14H15FN2
Molecular Weight230.29 g/mol
Exact Mass230.12
IUPAC Name(1S)-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine
SMILESC[C@H](NCc1ccncc1)c1ccc(F)cc1
InChIInChI=1S/C14H15FN2/c1-11(13-2-4-14(15)5-3-13)17-10-12-6-8-16-9-7-12/h2-9,11,17H,10H2,1H3/t11-/m0/s1
InChIKeyDMLPPNXHWIKRIZ-NSHDSACASA-N
XLogP3.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine 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

(1S)-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 28669648
1-phenyl-N-(pyridin-4-ylmethyl)ethanamine;dihydrochloride
CID 45156207
N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 43078764
(1R)-1-(4-fluorophenyl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103437945
(1R)-N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 28622733
4-[1-[(4-fluorophenyl)methylamino]ethyl]phenol
CID 43194830
1-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 43204819
N-[(4-fluorophenyl)methyl]-1-phenylethanamine
CID 2758971
(1R)-N-[(3,5-difluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 96938323
1-(4-chloro-3-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 82889677
(1S)-1-(4-fluorophenyl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine
CID 28623639
1-(4-butylphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 43204866

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine?
The IUPAC name of (1S)-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine (CID 28669780) is (1S)-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine.
What is the SMILES notation for (1S)-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine?
The canonical SMILES for (1S)-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine is C[C@H](NCc1ccncc1)c1ccc(F)cc1.
What is the InChIKey of (1S)-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine?
The InChIKey is DMLPPNXHWIKRIZ-NSHDSACASA-N. The full InChI is InChI=1S/C14H15FN2/c1-11(13-2-4-14(15)5-3-13)17-10-12-6-8-16-9-7-12/h2-9,11,17H,10H2,1H3/t11-/m0/s1.
What are the key properties of (1S)-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine?
(1S)-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine has a molecular weight of 230.29 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine is sourced from PubChem (CID 28669780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).