1-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine

C18H23NO — CID 60906849

IUPAC1-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(OCc2ccc(C)cc2)cc1
InChIInChI=1S/C18H23NO/c1-3-17(19)12-15-8-10-18(11-9-15)20-13-16-6-4-14(2)5-7-16/h4-11,17H,3,12-13,19H2,1-2H3
InChIKeyMWVRUQMGXMDIIY-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.85
Rot. Bonds6

About 1-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine

1-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine (PubChem CID 60906849) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine
PubChem CID60906849
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name1-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(OCc2ccc(C)cc2)cc1
InChIInChI=1S/C18H23NO/c1-3-17(19)12-15-8-10-18(11-9-15)20-13-16-6-4-14(2)5-7-16/h4-11,17H,3,12-13,19H2,1-2H3
InChIKeyMWVRUQMGXMDIIY-UHFFFAOYSA-N
XLogP3.85
TPSA35.25 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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-ethoxyphenyl)butan-2-amine
CID 43566029
1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480
1-[4-(4-ethoxyphenoxy)phenyl]butan-2-amine
CID 63816977
1-[2-[(4-methylphenyl)methoxy]phenyl]butan-2-amine
CID 60908081
1-[4-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine
CID 54930620
1-[4-[(3-bromo-5-fluorophenyl)methoxy]phenyl]butan-2-amine
CID 79700300
1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]butan-2-amine
CID 54930573
1-[4-[(E)-but-2-enoxy]phenyl]butan-2-amine
CID 60907948
4-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine
CID 43184619
1-[4-[(5-bromothiophen-2-yl)methoxy]phenyl]butan-2-amine
CID 54930396
[4-[(4-methylphenyl)methoxy]phenyl]methyl (2R)-2-aminopropanoate
CID 176827947
1-(4-methylphenoxy)-3-phenylpropan-2-amine
CID 117241547

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine?
The IUPAC name of 1-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine (CID 60906849) is 1-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine.
What is the SMILES notation for 1-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine?
The canonical SMILES for 1-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine is CCC(N)Cc1ccc(OCc2ccc(C)cc2)cc1.
What is the InChIKey of 1-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine?
The InChIKey is MWVRUQMGXMDIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-3-17(19)12-15-8-10-18(11-9-15)20-13-16-6-4-14(2)5-7-16/h4-11,17H,3,12-13,19H2,1-2H3.
What are the key properties of 1-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine?
1-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine has a molecular weight of 269.39 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine is sourced from PubChem (CID 60906849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).