1-(3-chloro-2-pyridinyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine

C16H19ClN2O — CID 103444188

IUPAC1-(3-chloro-2-pyridinyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
SMILESCNC(c1ccc(OC(C)C)cc1)c1ncccc1Cl
InChIInChI=1S/C16H19ClN2O/c1-11(2)20-13-8-6-12(7-9-13)15(18-3)16-14(17)5-4-10-19-16/h4-11,15,18H,1-3H3
InChIKeyRPBWCGQYAVTAHQ-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.83
Rot. Bonds5

About 1-(3-chloro-2-pyridinyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine

1-(3-chloro-2-pyridinyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine (PubChem CID 103444188) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
PubChem CID103444188
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name1-(3-chloro-2-pyridinyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
SMILESCNC(c1ccc(OC(C)C)cc1)c1ncccc1Cl
InChIInChI=1S/C16H19ClN2O/c1-11(2)20-13-8-6-12(7-9-13)15(18-3)16-14(17)5-4-10-19-16/h4-11,15,18H,1-3H3
InChIKeyRPBWCGQYAVTAHQ-UHFFFAOYSA-N
XLogP3.83
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-2-pyridinyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 103444068
1-(3-chloro-2-pyridinyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 103444275
1-(3-chloro-2-pyridinyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 103444180
1-(3-chloro-2-pyridinyl)-N-methyl-1-thiophen-3-ylmethanamine
CID 103444122
1-(3-chloro-2-pyridinyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 103444187
1-(3-chloro-2-pyridinyl)-N-methyl-1-[3-(trifluoromethoxy)phenyl]methanamine
CID 103444046
(3-chloro-2-pyridinyl)-(5-propan-2-yloxy-3-pyridinyl)methanol
CID 103443499
1-(3-chloro-2-pyridinyl)-N-methyl-1-quinolin-3-ylmethanamine
CID 103444108
1-(3-chloro-2-pyridinyl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 103444034
1-(3-chloro-4-fluorophenyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
CID 63088821
1-(4-chloro-3-fluorophenyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
CID 107993056
[(2,6-dichlorophenyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine
CID 105304128

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine (CID 103444188) is 1-(3-chloro-2-pyridinyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine is CNC(c1ccc(OC(C)C)cc1)c1ncccc1Cl.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine?
The InChIKey is RPBWCGQYAVTAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-11(2)20-13-8-6-12(7-9-13)15(18-3)16-14(17)5-4-10-19-16/h4-11,15,18H,1-3H3.
What are the key properties of 1-(3-chloro-2-pyridinyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine?
1-(3-chloro-2-pyridinyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine has a molecular weight of 290.79 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 103444188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).