N-[(4-methoxy-3-methylphenyl)methyl]-2-methylbutan-1-amine

C14H23NO — CID 62691785

IUPACN-[(4-methoxy-3-methylphenyl)methyl]-2-methylbutan-1-amine
SMILESCCC(C)CNCc1ccc(OC)c(C)c1
InChIInChI=1S/C14H23NO/c1-5-11(2)9-15-10-13-6-7-14(16-4)12(3)8-13/h6-8,11,15H,5,9-10H2,1-4H3
InChIKeyXJGBOEWWACWTTP-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.14
Rot. Bonds6

About N-[(4-methoxy-3-methylphenyl)methyl]-2-methylbutan-1-amine

N-[(4-methoxy-3-methylphenyl)methyl]-2-methylbutan-1-amine (PubChem CID 62691785) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-[(4-methoxy-3-methylphenyl)methyl]-2-methylbutan-1-amine.

Molecular Properties

Compound NameN-[(4-methoxy-3-methylphenyl)methyl]-2-methylbutan-1-amine
PubChem CID62691785
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-[(4-methoxy-3-methylphenyl)methyl]-2-methylbutan-1-amine
SMILESCCC(C)CNCc1ccc(OC)c(C)c1
InChIInChI=1S/C14H23NO/c1-5-11(2)9-15-10-13-6-7-14(16-4)12(3)8-13/h6-8,11,15H,5,9-10H2,1-4H3
InChIKeyXJGBOEWWACWTTP-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-[(4-methoxy-3-methylphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 59084850
4-[(4-methoxy-3-methylphenyl)methylamino]-3-methylbutanoic acid
CID 115219897
3-ethyl-1-N-[(4-methoxy-3-methylphenyl)methyl]-2-N,2-N-dimethylpentane-1,2-diamine
CID 43434722
3-[(4-methoxy-3-methylphenyl)methylamino]-2-methylpropanenitrile
CID 62646735
methyl 2-[[(4-methoxy-3-methylphenyl)methylamino]methyl]butanoate
CID 115253119
N-[(4-methoxy-3-methylphenyl)methyl]-2-methyl-3-piperidin-1-ylpropan-1-amine
CID 60961619
N-[(4-fluoro-3-methylphenyl)methyl]-2-methylbutan-1-amine
CID 62692850
N-[(4-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 43201033
(2R)-N-[(3-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 93345240
(4-methoxy-3-methylphenyl)methylhydrazine
CID 53404033
4-butan-2-yl-N-[(4-methoxy-3-methylphenyl)methyl]aniline
CID 43780458
N-[(4-methoxy-3-methylphenyl)methyl]-3,3-dimethylbutan-1-amine
CID 115581213

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3-methylphenyl)methyl]-2-methylbutan-1-amine?
The IUPAC name of N-[(4-methoxy-3-methylphenyl)methyl]-2-methylbutan-1-amine (CID 62691785) is N-[(4-methoxy-3-methylphenyl)methyl]-2-methylbutan-1-amine.
What is the SMILES notation for N-[(4-methoxy-3-methylphenyl)methyl]-2-methylbutan-1-amine?
The canonical SMILES for N-[(4-methoxy-3-methylphenyl)methyl]-2-methylbutan-1-amine is CCC(C)CNCc1ccc(OC)c(C)c1.
What is the InChIKey of N-[(4-methoxy-3-methylphenyl)methyl]-2-methylbutan-1-amine?
The InChIKey is XJGBOEWWACWTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-11(2)9-15-10-13-6-7-14(16-4)12(3)8-13/h6-8,11,15H,5,9-10H2,1-4H3.
What are the key properties of N-[(4-methoxy-3-methylphenyl)methyl]-2-methylbutan-1-amine?
N-[(4-methoxy-3-methylphenyl)methyl]-2-methylbutan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3-methylphenyl)methyl]-2-methylbutan-1-amine is sourced from PubChem (CID 62691785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).