(4-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanamine

C18H23NO — CID 116543817

IUPAC(4-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanamine
SMILESCOc1ccc(C(N)c2cccc(CC(C)C)c2)cc1
InChIInChI=1S/C18H23NO/c1-13(2)11-14-5-4-6-16(12-14)18(19)15-7-9-17(20-3)10-8-15/h4-10,12-13,18H,11,19H2,1-3H3
InChIKeyCKAZTOZNCGSCDY-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.94
Rot. Bonds5

About (4-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanamine

(4-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanamine (PubChem CID 116543817) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is (4-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanamine.

Molecular Properties

Compound Name(4-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanamine
PubChem CID116543817
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name(4-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanamine
SMILESCOc1ccc(C(N)c2cccc(CC(C)C)c2)cc1
InChIInChI=1S/C18H23NO/c1-13(2)11-14-5-4-6-16(12-14)18(19)15-7-9-17(20-3)10-8-15/h4-10,12-13,18H,11,19H2,1-3H3
InChIKeyCKAZTOZNCGSCDY-UHFFFAOYSA-N
XLogP3.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromophenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116543839
(3-bromo-4-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 105050773
(3,4-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116543886
(4-chloro-3-methylphenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 105050742
2-(3-methoxyphenyl)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 43095852
1-[(2R)-butan-2-yl]-3-[2-(4-methoxyphenyl)propyl]benzene
CID 155096208
(4-bromo-3,5-dimethylphenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 114330154
[4-(2-methylpropyl)phenyl]-phenylmethanamine
CID 43198176
2-methoxy-6-[3-(2-methylpropyl)phenyl]naphthalene
CID 173309797
(2,4-dimethoxyphenyl)-[4-(2-methylpropyl)phenyl]methanamine
CID 43825039
[3-(2-methylpropyl)phenyl]-(5-methylpyrimidin-2-yl)methanamine
CID 116545007
2-(3-bromophenyl)-1-(4-methoxyphenyl)ethanamine
CID 60798720

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanamine?
The IUPAC name of (4-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanamine (CID 116543817) is (4-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanamine.
What is the SMILES notation for (4-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanamine?
The canonical SMILES for (4-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanamine is COc1ccc(C(N)c2cccc(CC(C)C)c2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanamine?
The InChIKey is CKAZTOZNCGSCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-13(2)11-14-5-4-6-16(12-14)18(19)15-7-9-17(20-3)10-8-15/h4-10,12-13,18H,11,19H2,1-3H3.
What are the key properties of (4-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanamine?
(4-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanamine has a molecular weight of 269.39 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanamine is sourced from PubChem (CID 116543817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).