1-(3-cyclopropyloxyphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine

C17H20N2O2 — CID 105066138

IUPAC1-(3-cyclopropyloxyphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
SMILESCNC(c1cccc(OC2CC2)c1)c1ccncc1OC
InChIInChI=1S/C17H20N2O2/c1-18-17(15-8-9-19-11-16(15)20-2)12-4-3-5-14(10-12)21-13-6-7-13/h3-5,8-11,13,17-18H,6-7H2,1-2H3
InChIKeyCCPHHQZMFUVNAN-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.94
Rot. Bonds6

About 1-(3-cyclopropyloxyphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine

1-(3-cyclopropyloxyphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine (PubChem CID 105066138) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(3-cyclopropyloxyphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-cyclopropyloxyphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
PubChem CID105066138
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-(3-cyclopropyloxyphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
SMILESCNC(c1cccc(OC2CC2)c1)c1ccncc1OC
InChIInChI=1S/C17H20N2O2/c1-18-17(15-8-9-19-11-16(15)20-2)12-4-3-5-14(10-12)21-13-6-7-13/h3-5,8-11,13,17-18H,6-7H2,1-2H3
InChIKeyCCPHHQZMFUVNAN-UHFFFAOYSA-N
XLogP2.94
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-cyclopropyloxyphenyl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine
CID 114522070
(3-cyclopropyloxyphenyl)-(3-methoxy-4-pyridinyl)methanamine
CID 105066137
1-(3-fluorophenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 105065221
1-(3-cyclopropyloxyphenyl)-N-methyl-1-(2-methyl-3-pyridinyl)methanamine
CID 105188536
1-(3-cyclopropyloxyphenyl)-N-methyl-1-pyrimidin-4-ylmethanamine
CID 114521712
1-(3-methoxy-4-pyridinyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105065961
1-(3,5-dimethylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 105065247
1-(2-chloro-4-methylphenyl)-1-(3-cyclopropyloxyphenyl)-N-methylmethanamine
CID 106858802
N-[(3-cyclopropyloxyphenyl)-pyridin-4-ylmethyl]ethanamine
CID 114521537
1-(2-bromo-5-fluorophenyl)-1-(3-cyclopropyloxyphenyl)-N-methylmethanamine
CID 105051704
1-(2-cyclobutylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 105066142
1-(3-fluoro-4-methylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 107130336

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyloxyphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-(3-cyclopropyloxyphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine (CID 105066138) is 1-(3-cyclopropyloxyphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-cyclopropyloxyphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-cyclopropyloxyphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine is CNC(c1cccc(OC2CC2)c1)c1ccncc1OC.
What is the InChIKey of 1-(3-cyclopropyloxyphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine?
The InChIKey is CCPHHQZMFUVNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-18-17(15-8-9-19-11-16(15)20-2)12-4-3-5-14(10-12)21-13-6-7-13/h3-5,8-11,13,17-18H,6-7H2,1-2H3.
What are the key properties of 1-(3-cyclopropyloxyphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine?
1-(3-cyclopropyloxyphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine has a molecular weight of 284.36 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyloxyphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 105066138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).