[4-[(4-butylphenoxy)methyl]-3-methylphenyl]methanamine

C19H25NO — CID 114479426

IUPAC[4-[(4-butylphenoxy)methyl]-3-methylphenyl]methanamine
SMILESCCCCc1ccc(OCc2ccc(CN)cc2C)cc1
InChIInChI=1S/C19H25NO/c1-3-4-5-16-7-10-19(11-8-16)21-14-18-9-6-17(13-20)12-15(18)2/h6-12H,3-5,13-14,20H2,1-2H3
InChIKeyODFPNKOLFNXTMI-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.38
Rot. Bonds7

About [4-[(4-butylphenoxy)methyl]-3-methylphenyl]methanamine

[4-[(4-butylphenoxy)methyl]-3-methylphenyl]methanamine (PubChem CID 114479426) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is [4-[(4-butylphenoxy)methyl]-3-methylphenyl]methanamine.

Molecular Properties

Compound Name[4-[(4-butylphenoxy)methyl]-3-methylphenyl]methanamine
PubChem CID114479426
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name[4-[(4-butylphenoxy)methyl]-3-methylphenyl]methanamine
SMILESCCCCc1ccc(OCc2ccc(CN)cc2C)cc1
InChIInChI=1S/C19H25NO/c1-3-4-5-16-7-10-19(11-8-16)21-14-18-9-6-17(13-20)12-15(18)2/h6-12H,3-5,13-14,20H2,1-2H3
InChIKeyODFPNKOLFNXTMI-UHFFFAOYSA-N
XLogP4.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-[(4-butylphenoxy)methyl]-3-methylphenyl]methanamine 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

[3-[(4-butylphenoxy)methyl]furan-2-yl]methanamine
CID 115493291
[5-[(4-butylphenoxy)methyl]furan-3-yl]methanamine
CID 115493308
[4-[(2,6-dimethylphenoxy)methyl]-3-methylphenyl]methanamine
CID 114479266
[4-[(4-ethylphenoxy)methyl]-3-propylphenyl]methanamine
CID 170299721
2-[2-[(4-butylphenoxy)methyl]phenyl]ethanamine
CID 115493361
4-[(4-butylphenoxy)methyl]-3-fluoroaniline
CID 115492298
[4-(methoxymethyl)-3-methylphenyl]methanamine
CID 88997132
2-[4-[(2-methylphenyl)methoxy]phenyl]ethanamine
CID 16775885
4-[(4-butylphenoxy)methyl]aniline
CID 115492301
[3-methyl-4-(quinolin-7-yloxymethyl)phenyl]methanamine
CID 107313344
3-[(4-butylphenoxy)methyl]bicyclo[4.1.0]hepta-1(7),2,4,6-tetraene
CID 170259911
4-[(4-hexylphenyl)methoxy]-1,2-dimethylbenzene
CID 59265322

Frequently Asked Questions

What is the IUPAC name of [4-[(4-butylphenoxy)methyl]-3-methylphenyl]methanamine?
The IUPAC name of [4-[(4-butylphenoxy)methyl]-3-methylphenyl]methanamine (CID 114479426) is [4-[(4-butylphenoxy)methyl]-3-methylphenyl]methanamine.
What is the SMILES notation for [4-[(4-butylphenoxy)methyl]-3-methylphenyl]methanamine?
The canonical SMILES for [4-[(4-butylphenoxy)methyl]-3-methylphenyl]methanamine is CCCCc1ccc(OCc2ccc(CN)cc2C)cc1.
What is the InChIKey of [4-[(4-butylphenoxy)methyl]-3-methylphenyl]methanamine?
The InChIKey is ODFPNKOLFNXTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-3-4-5-16-7-10-19(11-8-16)21-14-18-9-6-17(13-20)12-15(18)2/h6-12H,3-5,13-14,20H2,1-2H3.
What are the key properties of [4-[(4-butylphenoxy)methyl]-3-methylphenyl]methanamine?
[4-[(4-butylphenoxy)methyl]-3-methylphenyl]methanamine has a molecular weight of 283.42 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-butylphenoxy)methyl]-3-methylphenyl]methanamine is sourced from PubChem (CID 114479426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).