N-[1-(4-chloro-3-fluorophenyl)-2-pyridin-2-ylethyl]propan-1-amine

C16H18ClFN2 — CID 107989076

IUPACN-[1-(4-chloro-3-fluorophenyl)-2-pyridin-2-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccccn1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C16H18ClFN2/c1-2-8-20-16(11-13-5-3-4-9-19-13)12-6-7-14(17)15(18)10-12/h3-7,9-10,16,20H,2,8,11H2,1H3
InChIKeyBUHYBEDUBDYHHI-UHFFFAOYSA-N
MW292.78 g/mol
LogP4.16
Rot. Bonds6

About N-[1-(4-chloro-3-fluorophenyl)-2-pyridin-2-ylethyl]propan-1-amine

N-[1-(4-chloro-3-fluorophenyl)-2-pyridin-2-ylethyl]propan-1-amine (PubChem CID 107989076) has the molecular formula C16H18ClFN2 and a molecular weight of 292.78 g/mol. Its IUPAC name is N-[1-(4-chloro-3-fluorophenyl)-2-pyridin-2-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-chloro-3-fluorophenyl)-2-pyridin-2-ylethyl]propan-1-amine
PubChem CID107989076
Molecular FormulaC16H18ClFN2
Molecular Weight292.78 g/mol
Exact Mass292.11
IUPAC NameN-[1-(4-chloro-3-fluorophenyl)-2-pyridin-2-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccccn1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C16H18ClFN2/c1-2-8-20-16(11-13-5-3-4-9-19-13)12-6-7-14(17)15(18)10-12/h3-7,9-10,16,20H,2,8,11H2,1H3
InChIKeyBUHYBEDUBDYHHI-UHFFFAOYSA-N
XLogP4.16
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.78
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3,4-dimethylphenyl)-2-pyridin-2-ylethyl]propan-1-amine
CID 62550641
N-[1-(4-chloro-3-fluorophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 107988849
1-(3-chloro-4-fluorophenyl)-N-propyl-3-pyridin-2-ylpropan-2-amine
CID 103039837
N-[1-(4-chloro-3-fluorophenyl)-2-cyclobutylethyl]propan-1-amine
CID 107993397
N-[2-(4-chloro-3-fluorophenyl)-1-(3-chlorophenyl)ethyl]propan-1-amine
CID 107884482
1-(3-fluorophenyl)-N-propyl-3-pyridin-2-ylpropan-1-amine
CID 105092665
N-[2-(5-chloro-2-pyridinyl)-1-phenylethyl]propan-1-amine
CID 63199678
N-[1-(3-bromo-4-chlorophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 107989126
N,N'-bis[(1R)-1-phenyl-2-pyridin-2-ylethyl]propane-1,3-diamine
CID 102584855
(1S)-N-ethyl-1-phenyl-2-pyridin-2-ylethanamine
CID 129365604
N-[1-(3,4-dichlorophenyl)-2-phenylsulfanylethyl]propan-1-amine
CID 65143250
N-[2-(5-fluoro-2-pyridinyl)-1-phenylethyl]propan-1-amine
CID 55163375

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chloro-3-fluorophenyl)-2-pyridin-2-ylethyl]propan-1-amine?
The IUPAC name of N-[1-(4-chloro-3-fluorophenyl)-2-pyridin-2-ylethyl]propan-1-amine (CID 107989076) is N-[1-(4-chloro-3-fluorophenyl)-2-pyridin-2-ylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-chloro-3-fluorophenyl)-2-pyridin-2-ylethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-chloro-3-fluorophenyl)-2-pyridin-2-ylethyl]propan-1-amine is CCCNC(Cc1ccccn1)c1ccc(Cl)c(F)c1.
What is the InChIKey of N-[1-(4-chloro-3-fluorophenyl)-2-pyridin-2-ylethyl]propan-1-amine?
The InChIKey is BUHYBEDUBDYHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2/c1-2-8-20-16(11-13-5-3-4-9-19-13)12-6-7-14(17)15(18)10-12/h3-7,9-10,16,20H,2,8,11H2,1H3.
What are the key properties of N-[1-(4-chloro-3-fluorophenyl)-2-pyridin-2-ylethyl]propan-1-amine?
N-[1-(4-chloro-3-fluorophenyl)-2-pyridin-2-ylethyl]propan-1-amine has a molecular weight of 292.78 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chloro-3-fluorophenyl)-2-pyridin-2-ylethyl]propan-1-amine is sourced from PubChem (CID 107989076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).