1-(3,4-dimethylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine

C16H27N — CID 43487984

IUPAC1-(3,4-dimethylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine
SMILESCCNC(CC(C)(C)C)c1ccc(C)c(C)c1
InChIInChI=1S/C16H27N/c1-7-17-15(11-16(4,5)6)14-9-8-12(2)13(3)10-14/h8-10,15,17H,7,11H2,1-6H3
InChIKeyWYLFICIOSVWZSX-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.39
Rot. Bonds4

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

1-(3,4-dimethylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine (PubChem CID 43487984) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine
PubChem CID43487984
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name1-(3,4-dimethylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine
SMILESCCNC(CC(C)(C)C)c1ccc(C)c(C)c1
InChIInChI=1S/C16H27N/c1-7-17-15(11-16(4,5)6)14-9-8-12(2)13(3)10-14/h8-10,15,17H,7,11H2,1-6H3
InChIKeyWYLFICIOSVWZSX-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-dimethylphenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 43488017
N-ethyl-1-(4-methoxy-3,5-dimethylphenyl)-3,3-dimethylbutan-1-amine
CID 83057067
1-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 63890244
1-(4-bromophenyl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 43488677
1-(3-chloro-4-methylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 107560280
1-(3-chlorophenyl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 63891305
1-(3,4-dimethylphenyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 43487935
1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 63019719
1-(3,4-dimethylphenyl)-N-ethyl-N'-methyl-N'-pentan-3-ylethane-1,2-diamine
CID 63468837
N-ethyl-3,3-dimethyl-1-(2,4,6-trimethylphenyl)butan-1-amine
CID 43491139
2-(3,5-difluorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63416877
4-(1-chloro-3,3-dimethylbutyl)-1,2-dimethylbenzene
CID 63430869

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine?
The IUPAC name of 1-(3,4-dimethylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine (CID 43487984) is 1-(3,4-dimethylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine is CCNC(CC(C)(C)C)c1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine?
The InChIKey is WYLFICIOSVWZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-7-17-15(11-16(4,5)6)14-9-8-12(2)13(3)10-14/h8-10,15,17H,7,11H2,1-6H3.
What are the key properties of 1-(3,4-dimethylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine?
1-(3,4-dimethylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 43487984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).