1-(5-chloro-2-pyridinyl)-1-(4-cyclopropyloxyphenyl)-N-methylmethanamine

C16H17ClN2O — CID 114519640

IUPAC1-(5-chloro-2-pyridinyl)-1-(4-cyclopropyloxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(OC2CC2)cc1)c1ccc(Cl)cn1
InChIInChI=1S/C16H17ClN2O/c1-18-16(15-9-4-12(17)10-19-15)11-2-5-13(6-3-11)20-14-7-8-14/h2-6,9-10,14,16,18H,7-8H2,1H3
InChIKeyQETZEWQGVHLWTE-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.59
Rot. Bonds5

About 1-(5-chloro-2-pyridinyl)-1-(4-cyclopropyloxyphenyl)-N-methylmethanamine

1-(5-chloro-2-pyridinyl)-1-(4-cyclopropyloxyphenyl)-N-methylmethanamine (PubChem CID 114519640) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-1-(4-cyclopropyloxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-1-(4-cyclopropyloxyphenyl)-N-methylmethanamine
PubChem CID114519640
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name1-(5-chloro-2-pyridinyl)-1-(4-cyclopropyloxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(OC2CC2)cc1)c1ccc(Cl)cn1
InChIInChI=1S/C16H17ClN2O/c1-18-16(15-9-4-12(17)10-19-15)11-2-5-13(6-3-11)20-14-7-8-14/h2-6,9-10,14,16,18H,7-8H2,1H3
InChIKeyQETZEWQGVHLWTE-UHFFFAOYSA-N
XLogP3.59
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-chloro-2-pyridinyl)-1-(4-cyclopropyloxyphenyl)-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chlorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
CID 79712635
1-(4-cyclopropyloxyphenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine
CID 107969270
1-(4-cyclopropyloxyphenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 105051420
(4-cyclopropyloxyphenyl)-(5-methyl-2-pyridinyl)methanol
CID 114518682
N-[(4-cyclopropyloxyphenyl)-pyrimidin-4-ylmethyl]ethanamine
CID 114519422
1-(4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
CID 79712823
1-cyclobutyl-1-(4-cyclopropyloxyphenyl)-N-methylmethanamine
CID 114519446
1-(3-cyclopropyloxyphenyl)-N-methyl-1-pyrimidin-4-ylmethanamine
CID 114521712
1-(4-methoxyphenyl)-N-methyl-1-(5-methylpyrazin-2-yl)methanamine
CID 105095151
1-(4-cyclopropyloxyphenyl)-1-(2,5-dibromothiophen-3-yl)-N-methylmethanamine
CID 107969275
1-(4-cyclobutyloxyphenyl)-N-methylethanamine
CID 62139894
[(4-cyclopropyloxyphenyl)-(4-methylphenyl)methyl]hydrazine
CID 105194287

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-1-(4-cyclopropyloxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-1-(4-cyclopropyloxyphenyl)-N-methylmethanamine (CID 114519640) is 1-(5-chloro-2-pyridinyl)-1-(4-cyclopropyloxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-1-(4-cyclopropyloxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-1-(4-cyclopropyloxyphenyl)-N-methylmethanamine is CNC(c1ccc(OC2CC2)cc1)c1ccc(Cl)cn1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-1-(4-cyclopropyloxyphenyl)-N-methylmethanamine?
The InChIKey is QETZEWQGVHLWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-18-16(15-9-4-12(17)10-19-15)11-2-5-13(6-3-11)20-14-7-8-14/h2-6,9-10,14,16,18H,7-8H2,1H3.
What are the key properties of 1-(5-chloro-2-pyridinyl)-1-(4-cyclopropyloxyphenyl)-N-methylmethanamine?
1-(5-chloro-2-pyridinyl)-1-(4-cyclopropyloxyphenyl)-N-methylmethanamine has a molecular weight of 288.78 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-1-(4-cyclopropyloxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 114519640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).