N-[1-(3,5-dimethylphenyl)ethyl]-1-methoxybutan-2-amine

C15H25NO — CID 81344361

IUPACN-[1-(3,5-dimethylphenyl)ethyl]-1-methoxybutan-2-amine
SMILESCCC(COC)NC(C)c1cc(C)cc(C)c1
InChIInChI=1S/C15H25NO/c1-6-15(10-17-5)16-13(4)14-8-11(2)7-12(3)9-14/h7-9,13,15-16H,6,10H2,1-5H3
InChIKeyPGISSJNQPFYUIG-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.38
Rot. Bonds6

About N-[1-(3,5-dimethylphenyl)ethyl]-1-methoxybutan-2-amine

N-[1-(3,5-dimethylphenyl)ethyl]-1-methoxybutan-2-amine (PubChem CID 81344361) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[1-(3,5-dimethylphenyl)ethyl]-1-methoxybutan-2-amine.

Molecular Properties

Compound NameN-[1-(3,5-dimethylphenyl)ethyl]-1-methoxybutan-2-amine
PubChem CID81344361
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-[1-(3,5-dimethylphenyl)ethyl]-1-methoxybutan-2-amine
SMILESCCC(COC)NC(C)c1cc(C)cc(C)c1
InChIInChI=1S/C15H25NO/c1-6-15(10-17-5)16-13(4)14-8-11(2)7-12(3)9-14/h7-9,13,15-16H,6,10H2,1-5H3
InChIKeyPGISSJNQPFYUIG-UHFFFAOYSA-N
XLogP3.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(3,5-dimethylphenyl)ethyl]-1-methoxybutan-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

N-[1-(3,5-dimethylphenyl)ethyl]hex-5-yn-3-amine
CID 115723530
1-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]butan-2-amine
CID 81373255
(2R)-1-methoxy-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]butan-2-amine
CID 95369394
N-[1-(3-methylphenyl)ethyl]hexan-3-amine
CID 62119474
N-[1-(5-bromo-2-fluorophenyl)ethyl]-1-methoxybutan-2-amine
CID 81338305
1-(3,5-dimethylphenyl)-N-(2-methylpropoxy)ethanamine
CID 82708974
1-methoxy-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-2-amine
CID 106757835
N-[1-(4-ethylphenyl)ethyl]-1-methoxypropan-2-amine
CID 43191926
4-[1-[(4-hydroxy-1-methoxybutan-2-yl)amino]ethyl]phenol
CID 114151398
1-[1-(3,5-dimethylphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea
CID 111108490
1-(3,5-dimethylphenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105096998
N-[1-(4-fluoro-3-methylphenyl)ethyl]-1-methoxypropan-2-amine
CID 115683511

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylphenyl)ethyl]-1-methoxybutan-2-amine?
The IUPAC name of N-[1-(3,5-dimethylphenyl)ethyl]-1-methoxybutan-2-amine (CID 81344361) is N-[1-(3,5-dimethylphenyl)ethyl]-1-methoxybutan-2-amine.
What is the SMILES notation for N-[1-(3,5-dimethylphenyl)ethyl]-1-methoxybutan-2-amine?
The canonical SMILES for N-[1-(3,5-dimethylphenyl)ethyl]-1-methoxybutan-2-amine is CCC(COC)NC(C)c1cc(C)cc(C)c1.
What is the InChIKey of N-[1-(3,5-dimethylphenyl)ethyl]-1-methoxybutan-2-amine?
The InChIKey is PGISSJNQPFYUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-6-15(10-17-5)16-13(4)14-8-11(2)7-12(3)9-14/h7-9,13,15-16H,6,10H2,1-5H3.
What are the key properties of N-[1-(3,5-dimethylphenyl)ethyl]-1-methoxybutan-2-amine?
N-[1-(3,5-dimethylphenyl)ethyl]-1-methoxybutan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethylphenyl)ethyl]-1-methoxybutan-2-amine is sourced from PubChem (CID 81344361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).