N-[(2-fluorophenyl)methyl]-1-pyridin-4-ylethanamine

C14H15FN2 — CID 43178816

IUPACN-[(2-fluorophenyl)methyl]-1-pyridin-4-ylethanamine
SMILESCC(NCc1ccccc1F)c1ccncc1
InChIInChI=1S/C14H15FN2/c1-11(12-6-8-16-9-7-12)17-10-13-4-2-3-5-14(13)15/h2-9,11,17H,10H2,1H3
InChIKeyBJBSAGNQYYHZQS-UHFFFAOYSA-N
MW230.29 g/mol
LogP3.07
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-1-pyridin-4-ylethanamine

N-[(2-fluorophenyl)methyl]-1-pyridin-4-ylethanamine (PubChem CID 43178816) has the molecular formula C14H15FN2 and a molecular weight of 230.29 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-1-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-1-pyridin-4-ylethanamine
PubChem CID43178816
Molecular FormulaC14H15FN2
Molecular Weight230.29 g/mol
Exact Mass230.12
IUPAC NameN-[(2-fluorophenyl)methyl]-1-pyridin-4-ylethanamine
SMILESCC(NCc1ccccc1F)c1ccncc1
InChIInChI=1S/C14H15FN2/c1-11(12-6-8-16-9-7-12)17-10-13-4-2-3-5-14(13)15/h2-9,11,17H,10H2,1H3
InChIKeyBJBSAGNQYYHZQS-UHFFFAOYSA-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

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Related Compounds

2-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]benzonitrile
CID 107935975
(1S)-N-[(2,3-dimethylphenyl)methyl]-1-pyridin-4-ylethanamine
CID 81406440
4-fluoro-3-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]benzoic acid
CID 107453139
N-[(2-fluorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 43178818
(1S)-N-[(2-methoxy-3-pyridinyl)methyl]-1-pyridin-4-ylethanamine
CID 81409770
(1R)-1-pyridin-4-yl-N-(quinolin-8-ylmethyl)ethanamine
CID 28644871
(1R)-N-(isoquinolin-4-ylmethyl)-1-pyridin-4-ylethanamine
CID 104503981
2,6-difluoro-4-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]phenol
CID 81406203
N-[(2,5-dichlorophenyl)methyl]-1-pyridin-4-ylethanamine
CID 65316008
1-pyridin-4-yl-N-[(2-pyridin-3-yloxyphenyl)methyl]ethanamine
CID 86787310
(1R)-N-(1H-indol-3-ylmethyl)-1-pyridin-4-ylethanamine
CID 81406304
1-phenyl-N-(pyridin-4-ylmethyl)ethanamine;dihydrochloride
CID 45156207

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-1-pyridin-4-ylethanamine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-1-pyridin-4-ylethanamine (CID 43178816) is N-[(2-fluorophenyl)methyl]-1-pyridin-4-ylethanamine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-1-pyridin-4-ylethanamine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-1-pyridin-4-ylethanamine is CC(NCc1ccccc1F)c1ccncc1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-1-pyridin-4-ylethanamine?
The InChIKey is BJBSAGNQYYHZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2/c1-11(12-6-8-16-9-7-12)17-10-13-4-2-3-5-14(13)15/h2-9,11,17H,10H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-1-pyridin-4-ylethanamine?
N-[(2-fluorophenyl)methyl]-1-pyridin-4-ylethanamine 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 N-[(2-fluorophenyl)methyl]-1-pyridin-4-ylethanamine is sourced from PubChem (CID 43178816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).