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

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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).