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

C16H18ClFN2O — CID 103444855

IUPACN-[(3-chloro-2-pyridinyl)-(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(OC)c1F)c1ncccc1Cl
InChIInChI=1S/C16H18ClFN2O/c1-3-9-19-15(16-12(17)7-5-10-20-16)11-6-4-8-13(21-2)14(11)18/h4-8,10,15,19H,3,9H2,1-2H3
InChIKeyAQXGXKMBGIUMRK-UHFFFAOYSA-N
MW308.78 g/mol
LogP3.97
Rot. Bonds6

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

N-[(3-chloro-2-pyridinyl)-(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine (PubChem CID 103444855) has the molecular formula C16H18ClFN2O and a molecular weight of 308.78 g/mol. Its IUPAC name is N-[(3-chloro-2-pyridinyl)-(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-chloro-2-pyridinyl)-(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine
PubChem CID103444855
Molecular FormulaC16H18ClFN2O
Molecular Weight308.78 g/mol
Exact Mass308.11
IUPAC NameN-[(3-chloro-2-pyridinyl)-(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(OC)c1F)c1ncccc1Cl
InChIInChI=1S/C16H18ClFN2O/c1-3-9-19-15(16-12(17)7-5-10-20-16)11-6-4-8-13(21-2)14(11)18/h4-8,10,15,19H,3,9H2,1-2H3
InChIKeyAQXGXKMBGIUMRK-UHFFFAOYSA-N
XLogP3.97
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.78
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluoro-3-methoxyphenyl)-(3-methyl-2-pyridinyl)methyl]ethanamine
CID 82808223
N-[(3-chloro-2-pyridinyl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 103444844
N-[(3,5-dichloro-2-pyridinyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 82793264
N-[(2-fluoro-3-methoxyphenyl)-(4-iodophenyl)methyl]propan-1-amine
CID 105025146
N-[(3-chloro-2-pyridinyl)-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 103444897
N-[(3-chloro-2-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 103444898
N-[(3-chloro-2-pyridinyl)-(2-ethoxyphenyl)methyl]ethanamine
CID 103444391
N-[(2-chloro-5-fluorophenyl)-(3-fluoro-2-pyridinyl)methyl]propan-1-amine
CID 105395357
N-[(2-fluoro-3-methoxyphenyl)-(furan-3-yl)methyl]propan-1-amine
CID 82808232
N-[(2,3-difluorophenyl)-(3-ethyl-2-pyridinyl)methyl]propan-1-amine
CID 82733064
N-[(2-fluoro-3-methoxyphenyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 82808455
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(3-methyl-2-pyridinyl)methanamine
CID 82808124

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-pyridinyl)-(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-chloro-2-pyridinyl)-(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine (CID 103444855) is N-[(3-chloro-2-pyridinyl)-(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-chloro-2-pyridinyl)-(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-chloro-2-pyridinyl)-(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine is CCCNC(c1cccc(OC)c1F)c1ncccc1Cl.
What is the InChIKey of N-[(3-chloro-2-pyridinyl)-(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine?
The InChIKey is AQXGXKMBGIUMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2O/c1-3-9-19-15(16-12(17)7-5-10-20-16)11-6-4-8-13(21-2)14(11)18/h4-8,10,15,19H,3,9H2,1-2H3.
What are the key properties of N-[(3-chloro-2-pyridinyl)-(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine?
N-[(3-chloro-2-pyridinyl)-(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine has a molecular weight of 308.78 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-pyridinyl)-(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 103444855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).