1-cyclopropyl-1-(4-methoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine

C18H22N2O — CID 114698985

IUPAC1-cyclopropyl-1-(4-methoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine
SMILESCOc1ccc(C(NCc2ccncc2C)C2CC2)cc1
InChIInChI=1S/C18H22N2O/c1-13-11-19-10-9-16(13)12-20-18(14-3-4-14)15-5-7-17(21-2)8-6-15/h5-11,14,18,20H,3-4,12H2,1-2H3
InChIKeyIBZQSBNCLDQDOO-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.64
Rot. Bonds6

About 1-cyclopropyl-1-(4-methoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine

1-cyclopropyl-1-(4-methoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine (PubChem CID 114698985) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-cyclopropyl-1-(4-methoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclopropyl-1-(4-methoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine
PubChem CID114698985
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-cyclopropyl-1-(4-methoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine
SMILESCOc1ccc(C(NCc2ccncc2C)C2CC2)cc1
InChIInChI=1S/C18H22N2O/c1-13-11-19-10-9-16(13)12-20-18(14-3-4-14)15-5-7-17(21-2)8-6-15/h5-11,14,18,20H,3-4,12H2,1-2H3
InChIKeyIBZQSBNCLDQDOO-UHFFFAOYSA-N
XLogP3.64
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)methanamine
CID 103790195
1-cyclopropyl-1-(4-methoxyphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103910978
N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
CID 93040874
3-(4-methoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]cyclobutan-1-amine
CID 114698616
N-[(4-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 65423233
(1S)-1-cyclopropyl-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)methanamine
CID 52532790
1-cyclopropyl-1-(4-methoxyphenyl)-N-(thiophen-3-ylmethyl)methanamine
CID 55027112
(7S,8R)-8-(4-methoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]bicyclo[4.2.0]octan-7-amine
CID 110216273
1-cyclopropyl-1-(4-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 60714029
N-[cyclopropyl-(4-methoxyphenyl)methyl]hydroxylamine
CID 82684518
(1S)-1-cyclopropyl-1-(4-methoxyphenyl)-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]methanamine
CID 95973403
N-[(3-methyl-4-pyridinyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 114699302

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(4-methoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine?
The IUPAC name of 1-cyclopropyl-1-(4-methoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine (CID 114698985) is 1-cyclopropyl-1-(4-methoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine.
What is the SMILES notation for 1-cyclopropyl-1-(4-methoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine?
The canonical SMILES for 1-cyclopropyl-1-(4-methoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine is COc1ccc(C(NCc2ccncc2C)C2CC2)cc1.
What is the InChIKey of 1-cyclopropyl-1-(4-methoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine?
The InChIKey is IBZQSBNCLDQDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13-11-19-10-9-16(13)12-20-18(14-3-4-14)15-5-7-17(21-2)8-6-15/h5-11,14,18,20H,3-4,12H2,1-2H3.
What are the key properties of 1-cyclopropyl-1-(4-methoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine?
1-cyclopropyl-1-(4-methoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine has a molecular weight of 282.39 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(4-methoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine is sourced from PubChem (CID 114698985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).