1-(3-fluoro-4-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine

C16H19FN2 — CID 81401331

IUPAC1-(3-fluoro-4-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
SMILESCc1ccc(C(C)N[C@@H](C)c2ccccn2)cc1F
InChIInChI=1S/C16H19FN2/c1-11-7-8-14(10-15(11)17)12(2)19-13(3)16-6-4-5-9-18-16/h4-10,12-13,19H,1-3H3/t12?,13-/m0/s1
InChIKeyVBVDWXMMLNPKOJ-ABLWVSNPSA-N
MW258.34 g/mol
LogP3.94
Rot. Bonds4

About 1-(3-fluoro-4-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine

1-(3-fluoro-4-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine (PubChem CID 81401331) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
PubChem CID81401331
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name1-(3-fluoro-4-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
SMILESCc1ccc(C(C)N[C@@H](C)c2ccccn2)cc1F
InChIInChI=1S/C16H19FN2/c1-11-7-8-14(10-15(11)17)12(2)19-13(3)16-6-4-5-9-18-16/h4-10,12-13,19H,1-3H3/t12?,13-/m0/s1
InChIKeyVBVDWXMMLNPKOJ-ABLWVSNPSA-N
XLogP3.94
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]ethanamine
CID 81402285
(1R)-1-(3-fluorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 81367216
1-(4-chlorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 43202325
N-[1-(2,5-difluorophenyl)ethyl]-1-pyridin-2-ylethanamine
CID 43202625
1-(4-bromophenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 79040984
(1S)-1-(3-chlorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 81366506
(1S)-1-pyridin-4-yl-N-(1-pyridin-2-ylethyl)ethanamine
CID 81405517
3-fluoro-4-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 46452389
(1R)-N-[(S)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]-1-pyridin-2-ylethanamine
CID 129471403
N-[(1S)-1-(2-chlorophenyl)ethyl]-1-(3-fluoro-4-methylphenyl)ethanamine
CID 81377556
1-(2-methylphenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 43203224
N-[1-(4-chloro-3-fluorophenyl)ethyl]-1-(3-fluoro-4-methylphenyl)ethanamine
CID 83057829

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine (CID 81401331) is 1-(3-fluoro-4-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine is Cc1ccc(C(C)N[C@@H](C)c2ccccn2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine?
The InChIKey is VBVDWXMMLNPKOJ-ABLWVSNPSA-N. The full InChI is InChI=1S/C16H19FN2/c1-11-7-8-14(10-15(11)17)12(2)19-13(3)16-6-4-5-9-18-16/h4-10,12-13,19H,1-3H3/t12?,13-/m0/s1.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine?
1-(3-fluoro-4-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine has a molecular weight of 258.34 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine is sourced from PubChem (CID 81401331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).