N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-pyridin-3-ylethanamine

C15H16ClFN2 — CID 43768143

IUPACN-[1-(2-chloro-4-fluorophenyl)ethyl]-1-pyridin-3-ylethanamine
SMILESCC(NC(C)c1ccc(F)cc1Cl)c1cccnc1
InChIInChI=1S/C15H16ClFN2/c1-10(12-4-3-7-18-9-12)19-11(2)14-6-5-13(17)8-15(14)16/h3-11,19H,1-2H3
InChIKeySBMYKCOHYJCMBT-UHFFFAOYSA-N
MW278.76 g/mol
LogP4.29
Rot. Bonds4

About N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-pyridin-3-ylethanamine

N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-pyridin-3-ylethanamine (PubChem CID 43768143) has the molecular formula C15H16ClFN2 and a molecular weight of 278.76 g/mol. Its IUPAC name is N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-pyridin-3-ylethanamine.

Molecular Properties

Compound NameN-[1-(2-chloro-4-fluorophenyl)ethyl]-1-pyridin-3-ylethanamine
PubChem CID43768143
Molecular FormulaC15H16ClFN2
Molecular Weight278.76 g/mol
Exact Mass278.10
IUPAC NameN-[1-(2-chloro-4-fluorophenyl)ethyl]-1-pyridin-3-ylethanamine
SMILESCC(NC(C)c1ccc(F)cc1Cl)c1cccnc1
InChIInChI=1S/C15H16ClFN2/c1-10(12-4-3-7-18-9-12)19-11(2)14-6-5-13(17)8-15(14)16/h3-11,19H,1-2H3
InChIKeySBMYKCOHYJCMBT-UHFFFAOYSA-N
XLogP4.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,4-dichlorophenyl)ethyl]-1-pyridin-3-ylethanamine
CID 43193785
(1R)-N-[1-(2-chlorophenyl)ethyl]-1-pyridin-3-ylethanamine
CID 79691249
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-phenylethanamine
CID 43755948
1-(4-fluorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 81406480
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 43766668
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine
CID 43767407
1-(3-chloro-4-fluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 81344921
(2-chloro-4-fluorophenyl)-pyridin-3-ylmethanol
CID 62945841
(1S)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-pyridin-3-ylethanamine
CID 82964366
1-(2-chloro-4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 60913072
1-(2-chloro-4-fluorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 81401324
(1R)-N-[(2-chloro-5-fluorophenyl)methyl]-1-pyridin-3-ylethanamine
CID 102615860

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-pyridin-3-ylethanamine?
The IUPAC name of N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-pyridin-3-ylethanamine (CID 43768143) is N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-pyridin-3-ylethanamine.
What is the SMILES notation for N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-pyridin-3-ylethanamine?
The canonical SMILES for N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-pyridin-3-ylethanamine is CC(NC(C)c1ccc(F)cc1Cl)c1cccnc1.
What is the InChIKey of N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-pyridin-3-ylethanamine?
The InChIKey is SBMYKCOHYJCMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2/c1-10(12-4-3-7-18-9-12)19-11(2)14-6-5-13(17)8-15(14)16/h3-11,19H,1-2H3.
What are the key properties of N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-pyridin-3-ylethanamine?
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-pyridin-3-ylethanamine has a molecular weight of 278.76 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-pyridin-3-ylethanamine is sourced from PubChem (CID 43768143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).