N-[(3-chloro-2-pyridinyl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine

C16H18ClFN2 — CID 103444823

IUPACN-[(3-chloro-2-pyridinyl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)c(C)c1)c1ncccc1Cl
InChIInChI=1S/C16H18ClFN2/c1-3-8-19-15(16-13(17)5-4-9-20-16)12-6-7-14(18)11(2)10-12/h4-7,9-10,15,19H,3,8H2,1-2H3
InChIKeyXNZNWKOMLPIQRO-UHFFFAOYSA-N
MW292.78 g/mol
LogP4.27
Rot. Bonds5

About N-[(3-chloro-2-pyridinyl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine

N-[(3-chloro-2-pyridinyl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine (PubChem CID 103444823) has the molecular formula C16H18ClFN2 and a molecular weight of 292.78 g/mol. Its IUPAC name is N-[(3-chloro-2-pyridinyl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-chloro-2-pyridinyl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
PubChem CID103444823
Molecular FormulaC16H18ClFN2
Molecular Weight292.78 g/mol
Exact Mass292.11
IUPAC NameN-[(3-chloro-2-pyridinyl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)c(C)c1)c1ncccc1Cl
InChIInChI=1S/C16H18ClFN2/c1-3-8-19-15(16-13(17)5-4-9-20-16)12-6-7-14(18)11(2)10-12/h4-7,9-10,15,19H,3,8H2,1-2H3
InChIKeyXNZNWKOMLPIQRO-UHFFFAOYSA-N
XLogP4.27
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.78
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-pyridinyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 103444187
N-[(3-chloro-2-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 103444898
N-[(3-chloro-2-pyridinyl)-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 103444897
N-[(3-chloro-2-pyridinyl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 103444844
N-[(3-chloro-2-pyridinyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 103444765
N-[(2-chloro-4-fluorophenyl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 63419672
N-[(4-fluoro-3-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 60929622
N-[(3-fluoro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 63413566
N-[(4-fluoro-3-methylphenyl)-(4-methylsulfanylphenyl)methyl]propan-1-amine
CID 79721561
N-[(4-fluoro-3-methylphenyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105142994
N-[(3-chloro-2-pyridinyl)-(5-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 103444757
N-[(3-chlorophenyl)-(3-chloro-2-pyridinyl)methyl]ethanamine
CID 103444575

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-pyridinyl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-chloro-2-pyridinyl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine (CID 103444823) is N-[(3-chloro-2-pyridinyl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-chloro-2-pyridinyl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-chloro-2-pyridinyl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine is CCCNC(c1ccc(F)c(C)c1)c1ncccc1Cl.
What is the InChIKey of N-[(3-chloro-2-pyridinyl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine?
The InChIKey is XNZNWKOMLPIQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2/c1-3-8-19-15(16-13(17)5-4-9-20-16)12-6-7-14(18)11(2)10-12/h4-7,9-10,15,19H,3,8H2,1-2H3.
What are the key properties of N-[(3-chloro-2-pyridinyl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine?
N-[(3-chloro-2-pyridinyl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine has a molecular weight of 292.78 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-pyridinyl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 103444823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).