1-(2-methoxyphenyl)-N-methyl-1-(3-propylphenyl)methanamine

C18H23NO — CID 116543823

IUPAC1-(2-methoxyphenyl)-N-methyl-1-(3-propylphenyl)methanamine
SMILESCCCc1cccc(C(NC)c2ccccc2OC)c1
InChIInChI=1S/C18H23NO/c1-4-8-14-9-7-10-15(13-14)18(19-2)16-11-5-6-12-17(16)20-3/h5-7,9-13,18-19H,4,8H2,1-3H3
InChIKeyRBENKTBTFIRXBK-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.96
Rot. Bonds6

About 1-(2-methoxyphenyl)-N-methyl-1-(3-propylphenyl)methanamine

1-(2-methoxyphenyl)-N-methyl-1-(3-propylphenyl)methanamine (PubChem CID 116543823) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-methyl-1-(3-propylphenyl)methanamine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-methyl-1-(3-propylphenyl)methanamine
PubChem CID116543823
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name1-(2-methoxyphenyl)-N-methyl-1-(3-propylphenyl)methanamine
SMILESCCCc1cccc(C(NC)c2ccccc2OC)c1
InChIInChI=1S/C18H23NO/c1-4-8-14-9-7-10-15(13-14)18(19-2)16-11-5-6-12-17(16)20-3/h5-7,9-13,18-19H,4,8H2,1-3H3
InChIKeyRBENKTBTFIRXBK-UHFFFAOYSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-N-methyl-1-(3-propylphenyl)methanamine
CID 116544137
(2-methoxyphenyl)-(3-propylphenyl)methanamine
CID 116543821
1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(3-propylphenyl)methanamine
CID 105050407
N-[(3-methoxy-4-pyridinyl)-(3-propylphenyl)methyl]ethanamine
CID 105066129
N-methyl-1-(3-propylphenyl)-1-pyrimidin-5-ylmethanamine
CID 102923924
1-[4-(2-methoxyethyl)phenyl]-1-(2-methoxyphenyl)-N-methylmethanamine
CID 43482394
1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(3-propylphenyl)methanamine
CID 105050302
N-methyl-1-(4-propan-2-ylphenyl)-1-(3-propylphenyl)methanamine
CID 116543873
1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-(3-propylphenyl)methanamine
CID 105187892
[(3-methoxy-4-methylphenyl)-(3-propylphenyl)methyl]hydrazine
CID 105340457
N-methyl-1-(3-propylphenyl)ethanamine
CID 59900502
1-(3-chloro-4-methoxyphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 43480963

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-methyl-1-(3-propylphenyl)methanamine?
The IUPAC name of 1-(2-methoxyphenyl)-N-methyl-1-(3-propylphenyl)methanamine (CID 116543823) is 1-(2-methoxyphenyl)-N-methyl-1-(3-propylphenyl)methanamine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-methyl-1-(3-propylphenyl)methanamine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-methyl-1-(3-propylphenyl)methanamine is CCCc1cccc(C(NC)c2ccccc2OC)c1.
What is the InChIKey of 1-(2-methoxyphenyl)-N-methyl-1-(3-propylphenyl)methanamine?
The InChIKey is RBENKTBTFIRXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-4-8-14-9-7-10-15(13-14)18(19-2)16-11-5-6-12-17(16)20-3/h5-7,9-13,18-19H,4,8H2,1-3H3.
What are the key properties of 1-(2-methoxyphenyl)-N-methyl-1-(3-propylphenyl)methanamine?
1-(2-methoxyphenyl)-N-methyl-1-(3-propylphenyl)methanamine has a molecular weight of 269.39 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-methyl-1-(3-propylphenyl)methanamine is sourced from PubChem (CID 116543823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).