N-[(4-chloro-2-fluorophenyl)methyl]-2-pyridin-3-ylethanamine

C14H14ClFN2 — CID 114842036

IUPACN-[(4-chloro-2-fluorophenyl)methyl]-2-pyridin-3-ylethanamine
SMILESFc1cc(Cl)ccc1CNCCc1cccnc1
InChIInChI=1S/C14H14ClFN2/c15-13-4-3-12(14(16)8-13)10-18-7-5-11-2-1-6-17-9-11/h1-4,6,8-9,18H,5,7,10H2
InChIKeyOCWLDKKDMNSKQR-UHFFFAOYSA-N
MW264.73 g/mol
LogP3.21
Rot. Bonds5

About N-[(4-chloro-2-fluorophenyl)methyl]-2-pyridin-3-ylethanamine

N-[(4-chloro-2-fluorophenyl)methyl]-2-pyridin-3-ylethanamine (PubChem CID 114842036) has the molecular formula C14H14ClFN2 and a molecular weight of 264.73 g/mol. Its IUPAC name is N-[(4-chloro-2-fluorophenyl)methyl]-2-pyridin-3-ylethanamine.

Molecular Properties

Compound NameN-[(4-chloro-2-fluorophenyl)methyl]-2-pyridin-3-ylethanamine
PubChem CID114842036
Molecular FormulaC14H14ClFN2
Molecular Weight264.73 g/mol
Exact Mass264.08
IUPAC NameN-[(4-chloro-2-fluorophenyl)methyl]-2-pyridin-3-ylethanamine
SMILESFc1cc(Cl)ccc1CNCCc1cccnc1
InChIInChI=1S/C14H14ClFN2/c15-13-4-3-12(14(16)8-13)10-18-7-5-11-2-1-6-17-9-11/h1-4,6,8-9,18H,5,7,10H2
InChIKeyOCWLDKKDMNSKQR-UHFFFAOYSA-N
XLogP3.21
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2,5-difluorophenyl)methyl]-2-pyridin-3-ylethanamine
CID 60913065
N-[(4-chloro-2-fluorophenyl)methyl]-2-(2-fluorophenyl)ethanamine
CID 114841353
[1-(4-chloro-2-fluorophenyl)-4-pyridin-3-ylbutan-2-yl]hydrazine
CID 105342751
N-benzyl-2-pyridin-3-ylethanamine
CID 60761296
3-chloro-4-fluoro-N-(2-pyridin-3-ylethyl)aniline
CID 83107487
5-methoxy-2-[(2-pyridin-3-ylethylamino)methyl]phenol
CID 61261961
4-chloro-2-methoxy-6-[(2-pyridin-3-ylethylamino)methyl]phenol
CID 104646102
N-[(2-methylphenyl)methyl]-2-pyridin-3-ylethanamine
CID 60761777
1-(4-chloro-2-fluorophenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine
CID 114855478
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-pyridin-3-ylethanamine
CID 63625517
2-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 55168633
N-[[2-fluoro-4-(pyridin-3-ylmethyl)phenyl]methyl]ethanamine
CID 113447026

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-fluorophenyl)methyl]-2-pyridin-3-ylethanamine?
The IUPAC name of N-[(4-chloro-2-fluorophenyl)methyl]-2-pyridin-3-ylethanamine (CID 114842036) is N-[(4-chloro-2-fluorophenyl)methyl]-2-pyridin-3-ylethanamine.
What is the SMILES notation for N-[(4-chloro-2-fluorophenyl)methyl]-2-pyridin-3-ylethanamine?
The canonical SMILES for N-[(4-chloro-2-fluorophenyl)methyl]-2-pyridin-3-ylethanamine is Fc1cc(Cl)ccc1CNCCc1cccnc1.
What is the InChIKey of N-[(4-chloro-2-fluorophenyl)methyl]-2-pyridin-3-ylethanamine?
The InChIKey is OCWLDKKDMNSKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2/c15-13-4-3-12(14(16)8-13)10-18-7-5-11-2-1-6-17-9-11/h1-4,6,8-9,18H,5,7,10H2.
What are the key properties of N-[(4-chloro-2-fluorophenyl)methyl]-2-pyridin-3-ylethanamine?
N-[(4-chloro-2-fluorophenyl)methyl]-2-pyridin-3-ylethanamine has a molecular weight of 264.73 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-fluorophenyl)methyl]-2-pyridin-3-ylethanamine is sourced from PubChem (CID 114842036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).