(1S)-N-[(4-fluoro-3-methylphenyl)methyl]-1-pyridin-4-ylethanamine

C15H17FN2 — CID 81406046

IUPAC(1S)-N-[(4-fluoro-3-methylphenyl)methyl]-1-pyridin-4-ylethanamine
SMILESCc1cc(CN[C@@H](C)c2ccncc2)ccc1F
InChIInChI=1S/C15H17FN2/c1-11-9-13(3-4-15(11)16)10-18-12(2)14-5-7-17-8-6-14/h3-9,12,18H,10H2,1-2H3/t12-/m0/s1
InChIKeyIZNONGMTUWXPES-LBPRGKRZSA-N
MW244.31 g/mol
LogP3.38
Rot. Bonds4

About (1S)-N-[(4-fluoro-3-methylphenyl)methyl]-1-pyridin-4-ylethanamine

(1S)-N-[(4-fluoro-3-methylphenyl)methyl]-1-pyridin-4-ylethanamine (PubChem CID 81406046) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is (1S)-N-[(4-fluoro-3-methylphenyl)methyl]-1-pyridin-4-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[(4-fluoro-3-methylphenyl)methyl]-1-pyridin-4-ylethanamine
PubChem CID81406046
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC Name(1S)-N-[(4-fluoro-3-methylphenyl)methyl]-1-pyridin-4-ylethanamine
SMILESCc1cc(CN[C@@H](C)c2ccncc2)ccc1F
InChIInChI=1S/C15H17FN2/c1-11-9-13(3-4-15(11)16)10-18-12(2)14-5-7-17-8-6-14/h3-9,12,18H,10H2,1-2H3/t12-/m0/s1
InChIKeyIZNONGMTUWXPES-LBPRGKRZSA-N
XLogP3.38
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromo-4-fluorophenyl)methyl]-1-pyridin-4-ylethanamine
CID 43181011
(1R)-N-[(3-chloro-4-fluorophenyl)methyl]-1-pyridin-4-ylethanamine
CID 81405552
(1S)-N-[(4-bromo-3-methylphenyl)methyl]-1-pyridin-4-ylethanamine
CID 81406056
(1S)-1-(4-bromophenyl)-N-[(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 81353609
1-(3,4-difluorophenyl)-N-[(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 62121099
(1S)-N-[(4-fluoro-3-methylphenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 81365762
2,6-difluoro-4-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]phenol
CID 81406203
(1R)-N-[(3,5-dichlorophenyl)methyl]-1-pyridin-4-ylethanamine
CID 81406292
(1R)-N-[(3,4-dimethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81347067
(1S)-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 28669780
(1S)-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 28669648
1-pyridin-4-yl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 62759133

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(4-fluoro-3-methylphenyl)methyl]-1-pyridin-4-ylethanamine?
The IUPAC name of (1S)-N-[(4-fluoro-3-methylphenyl)methyl]-1-pyridin-4-ylethanamine (CID 81406046) is (1S)-N-[(4-fluoro-3-methylphenyl)methyl]-1-pyridin-4-ylethanamine.
What is the SMILES notation for (1S)-N-[(4-fluoro-3-methylphenyl)methyl]-1-pyridin-4-ylethanamine?
The canonical SMILES for (1S)-N-[(4-fluoro-3-methylphenyl)methyl]-1-pyridin-4-ylethanamine is Cc1cc(CN[C@@H](C)c2ccncc2)ccc1F.
What is the InChIKey of (1S)-N-[(4-fluoro-3-methylphenyl)methyl]-1-pyridin-4-ylethanamine?
The InChIKey is IZNONGMTUWXPES-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17FN2/c1-11-9-13(3-4-15(11)16)10-18-12(2)14-5-7-17-8-6-14/h3-9,12,18H,10H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-N-[(4-fluoro-3-methylphenyl)methyl]-1-pyridin-4-ylethanamine?
(1S)-N-[(4-fluoro-3-methylphenyl)methyl]-1-pyridin-4-ylethanamine has a molecular weight of 244.31 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(4-fluoro-3-methylphenyl)methyl]-1-pyridin-4-ylethanamine is sourced from PubChem (CID 81406046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).