N-[(3-chlorophenyl)-(5-fluoro-3-pyridinyl)methyl]ethanamine

C14H14ClFN2 — CID 54967436

IUPACN-[(3-chlorophenyl)-(5-fluoro-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cncc(F)c1)c1cccc(Cl)c1
InChIInChI=1S/C14H14ClFN2/c1-2-18-14(10-4-3-5-12(15)6-10)11-7-13(16)9-17-8-11/h3-9,14,18H,2H2,1H3
InChIKeyNHYJIWDIMFOOMQ-UHFFFAOYSA-N
MW264.73 g/mol
LogP3.57
Rot. Bonds4

About N-[(3-chlorophenyl)-(5-fluoro-3-pyridinyl)methyl]ethanamine

N-[(3-chlorophenyl)-(5-fluoro-3-pyridinyl)methyl]ethanamine (PubChem CID 54967436) has the molecular formula C14H14ClFN2 and a molecular weight of 264.73 g/mol. Its IUPAC name is N-[(3-chlorophenyl)-(5-fluoro-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)-(5-fluoro-3-pyridinyl)methyl]ethanamine
PubChem CID54967436
Molecular FormulaC14H14ClFN2
Molecular Weight264.73 g/mol
Exact Mass264.08
IUPAC NameN-[(3-chlorophenyl)-(5-fluoro-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cncc(F)c1)c1cccc(Cl)c1
InChIInChI=1S/C14H14ClFN2/c1-2-18-14(10-4-3-5-12(15)6-10)11-7-13(16)9-17-8-11/h3-9,14,18H,2H2,1H3
InChIKeyNHYJIWDIMFOOMQ-UHFFFAOYSA-N
XLogP3.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-fluoro-3-pyridinyl)-phenylmethyl]ethanamine
CID 54967779
N-[(2-chloro-3-methylphenyl)-(5-fluoro-3-pyridinyl)methyl]ethanamine
CID 115804806
(1R)-1-(3-chlorophenyl)-N-[1-(5-fluoro-3-pyridinyl)ethyl]ethanamine
CID 103578530
2-(3-chlorophenoxy)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 105102021
N-[(3-chlorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 43490220
N-[(3,4-dichlorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 43492851
N-[(3-chlorophenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine
CID 115811950
N-[(3-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 62789996
2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 103053108
N-[(3-chloro-4-fluorophenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 115374528
N-[(3-chloro-4-fluorophenyl)-pyridin-3-ylmethyl]ethanamine
CID 63087157
N-[bis(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 105102198

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)-(5-fluoro-3-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(3-chlorophenyl)-(5-fluoro-3-pyridinyl)methyl]ethanamine (CID 54967436) is N-[(3-chlorophenyl)-(5-fluoro-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chlorophenyl)-(5-fluoro-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(3-chlorophenyl)-(5-fluoro-3-pyridinyl)methyl]ethanamine is CCNC(c1cncc(F)c1)c1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)-(5-fluoro-3-pyridinyl)methyl]ethanamine?
The InChIKey is NHYJIWDIMFOOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2/c1-2-18-14(10-4-3-5-12(15)6-10)11-7-13(16)9-17-8-11/h3-9,14,18H,2H2,1H3.
What are the key properties of N-[(3-chlorophenyl)-(5-fluoro-3-pyridinyl)methyl]ethanamine?
N-[(3-chlorophenyl)-(5-fluoro-3-pyridinyl)methyl]ethanamine has a molecular weight of 264.73 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)-(5-fluoro-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 54967436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).