1-(3,4-dimethylphenyl)-N-ethyl-3-methoxybutan-2-amine

C15H25NO — CID 79616585

IUPAC1-(3,4-dimethylphenyl)-N-ethyl-3-methoxybutan-2-amine
SMILESCCNC(Cc1ccc(C)c(C)c1)C(C)OC
InChIInChI=1S/C15H25NO/c1-6-16-15(13(4)17-5)10-14-8-7-11(2)12(3)9-14/h7-9,13,15-16H,6,10H2,1-5H3
InChIKeyBHFUZYWUSLNUFH-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.86
Rot. Bonds6

About 1-(3,4-dimethylphenyl)-N-ethyl-3-methoxybutan-2-amine

1-(3,4-dimethylphenyl)-N-ethyl-3-methoxybutan-2-amine (PubChem CID 79616585) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N-ethyl-3-methoxybutan-2-amine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N-ethyl-3-methoxybutan-2-amine
PubChem CID79616585
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-(3,4-dimethylphenyl)-N-ethyl-3-methoxybutan-2-amine
SMILESCCNC(Cc1ccc(C)c(C)c1)C(C)OC
InChIInChI=1S/C15H25NO/c1-6-16-15(13(4)17-5)10-14-8-7-11(2)12(3)9-14/h7-9,13,15-16H,6,10H2,1-5H3
InChIKeyBHFUZYWUSLNUFH-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)-N-ethyl-3-propylhexan-2-amine
CID 82986935
1-(3,4-dimethylphenyl)-3-methoxybutan-2-amine
CID 79615957
1-(3,4-dimethylphenyl)-3-methoxy-N,4-dimethylpentan-2-amine
CID 116720122
1-(3-bromo-4-methoxyphenyl)-3-methoxy-N-propylbutan-2-amine
CID 79616476
[1-(3,4-dimethylphenyl)-3-methylpentan-2-yl]hydrazine
CID 105215198
4-(2-chloro-3-methylbutyl)-1,2-dimethylbenzene
CID 63520209
1-(3,4-dimethylphenyl)-N-ethyl-5-methoxypentan-2-amine
CID 55132596
1-(3,4-dimethylphenyl)-N-ethyl-6-methylheptan-2-amine
CID 83160928
1-(3,4-dimethylphenyl)-N-ethylhexan-2-amine
CID 62538478
1-(3,4-dimethylphenyl)-3-ethoxy-N,4-dimethylpentan-2-amine
CID 116721264
1,2-dimethyl-4-(2-methylpropyl)benzene;methane
CID 143912284
1-(3,4-dimethylphenyl)-3-methylsulfonyl-N-propylbutan-2-amine
CID 104519960

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N-ethyl-3-methoxybutan-2-amine?
The IUPAC name of 1-(3,4-dimethylphenyl)-N-ethyl-3-methoxybutan-2-amine (CID 79616585) is 1-(3,4-dimethylphenyl)-N-ethyl-3-methoxybutan-2-amine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N-ethyl-3-methoxybutan-2-amine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N-ethyl-3-methoxybutan-2-amine is CCNC(Cc1ccc(C)c(C)c1)C(C)OC.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N-ethyl-3-methoxybutan-2-amine?
The InChIKey is BHFUZYWUSLNUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-6-16-15(13(4)17-5)10-14-8-7-11(2)12(3)9-14/h7-9,13,15-16H,6,10H2,1-5H3.
What are the key properties of 1-(3,4-dimethylphenyl)-N-ethyl-3-methoxybutan-2-amine?
1-(3,4-dimethylphenyl)-N-ethyl-3-methoxybutan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-N-ethyl-3-methoxybutan-2-amine is sourced from PubChem (CID 79616585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).