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

C18H23NO — CID 172652225

IUPAC[4-methoxy-3-[4-(2-methylpropyl)phenyl]phenyl]methanamine
SMILESCOc1ccc(CN)cc1-c1ccc(CC(C)C)cc1
InChIInChI=1S/C18H23NO/c1-13(2)10-14-4-7-16(8-5-14)17-11-15(12-19)6-9-18(17)20-3/h4-9,11,13H,10,12,19H2,1-3H3
InChIKeyCULASNLYNDAHCY-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.02
Rot. Bonds5

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

[4-methoxy-3-[4-(2-methylpropyl)phenyl]phenyl]methanamine (PubChem CID 172652225) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is [4-methoxy-3-[4-(2-methylpropyl)phenyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-methoxy-3-[4-(2-methylpropyl)phenyl]phenyl]methanamine
PubChem CID172652225
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name[4-methoxy-3-[4-(2-methylpropyl)phenyl]phenyl]methanamine
SMILESCOc1ccc(CN)cc1-c1ccc(CC(C)C)cc1
InChIInChI=1S/C18H23NO/c1-13(2)10-14-4-7-16(8-5-14)17-11-15(12-19)6-9-18(17)20-3/h4-9,11,13H,10,12,19H2,1-3H3
InChIKeyCULASNLYNDAHCY-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-chloro-3-[4-methoxy-6-[4-(2-methylpropyl)phenyl]-1,3,5-triazin-2-yl]phenyl]methanamine;hydrochloride
CID 118380365
[2-methoxy-4-[4-(2-methylpropyl)phenyl]phenyl]methanol
CID 172652316
1-[4-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylpropan-2-amine
CID 82540192
[3-methoxy-4-(4-methylpentan-2-yloxy)phenyl]methanamine
CID 114284718
[4-fluoro-3-(4-methoxy-3-methylphenyl)phenyl]methanamine
CID 54910100
2-bromo-1-methoxy-4-(2-methylpropyl)benzene
CID 115044915
2-iodo-1-methoxy-4-(2-methylpropyl)benzene
CID 153170033
N-methyl-1-[3-[4-(2-methylpropyl)phenyl]-4-(trifluoromethoxy)phenyl]methanamine
CID 172652228
[3-(3-chloro-4-methoxyphenyl)-4-fluorophenyl]methanamine
CID 54910650
[4-(3,4-dimethoxyphenyl)-3-fluorophenyl]methanamine
CID 81446939
2-[3-(3,4-dimethylphenyl)-4-methoxyphenyl]ethanamine
CID 82107025
[3-(2,5-dichlorophenyl)-4-methoxyphenyl]methanamine
CID 39233257

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-3-[4-(2-methylpropyl)phenyl]phenyl]methanamine?
The IUPAC name of [4-methoxy-3-[4-(2-methylpropyl)phenyl]phenyl]methanamine (CID 172652225) is [4-methoxy-3-[4-(2-methylpropyl)phenyl]phenyl]methanamine.
What is the SMILES notation for [4-methoxy-3-[4-(2-methylpropyl)phenyl]phenyl]methanamine?
The canonical SMILES for [4-methoxy-3-[4-(2-methylpropyl)phenyl]phenyl]methanamine is COc1ccc(CN)cc1-c1ccc(CC(C)C)cc1.
What is the InChIKey of [4-methoxy-3-[4-(2-methylpropyl)phenyl]phenyl]methanamine?
The InChIKey is CULASNLYNDAHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-13(2)10-14-4-7-16(8-5-14)17-11-15(12-19)6-9-18(17)20-3/h4-9,11,13H,10,12,19H2,1-3H3.
What are the key properties of [4-methoxy-3-[4-(2-methylpropyl)phenyl]phenyl]methanamine?
[4-methoxy-3-[4-(2-methylpropyl)phenyl]phenyl]methanamine has a molecular weight of 269.39 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-3-[4-(2-methylpropyl)phenyl]phenyl]methanamine is sourced from PubChem (CID 172652225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).