3-(3,4-dimethylphenyl)-2,2-dimethyl-N-propan-2-ylpropan-1-amine

C16H27N — CID 62723735

IUPAC3-(3,4-dimethylphenyl)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
SMILESCc1ccc(CC(C)(C)CNC(C)C)cc1C
InChIInChI=1S/C16H27N/c1-12(2)17-11-16(5,6)10-15-8-7-13(3)14(4)9-15/h7-9,12,17H,10-11H2,1-6H3
InChIKeyIFWSHPBXIAGGRE-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.87
Rot. Bonds5

About 3-(3,4-dimethylphenyl)-2,2-dimethyl-N-propan-2-ylpropan-1-amine

3-(3,4-dimethylphenyl)-2,2-dimethyl-N-propan-2-ylpropan-1-amine (PubChem CID 62723735) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-2,2-dimethyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
PubChem CID62723735
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name3-(3,4-dimethylphenyl)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
SMILESCc1ccc(CC(C)(C)CNC(C)C)cc1C
InChIInChI=1S/C16H27N/c1-12(2)17-11-16(5,6)10-15-8-7-13(3)14(4)9-15/h7-9,12,17H,10-11H2,1-6H3
InChIKeyIFWSHPBXIAGGRE-UHFFFAOYSA-N
XLogP3.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyl-3-(4-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 62724741
4-(2,2-dimethylpropyl)-1,2-dimethylbenzene;ethane
CID 157353786
6-(3,4-dimethylphenyl)-N-propan-2-ylhexan-1-amine
CID 65308314
4-(4-fluoro-3,5-dimethylphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine
CID 65306223
1,2-dimethyl-4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]benzene
CID 134199507
2-(3,5-dimethylphenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62596445
4-[2,2-bis(bromomethyl)-3-methylbutyl]-1,2-dimethylbenzene
CID 79456026
5-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-propan-2-ylpentan-1-amine
CID 79734919
(2R)-N-[(3,4-dimethylphenyl)methyl]-3-methylbutan-2-amine
CID 93026402
N-[[1-[(3,4-dimethylphenyl)methyl]cyclobutyl]methyl]propan-2-amine
CID 65194269
4-(3-chlorophenyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 81021801
3-(4-chloro-2-fluorophenyl)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 114858536

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-2,2-dimethyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(3,4-dimethylphenyl)-2,2-dimethyl-N-propan-2-ylpropan-1-amine (CID 62723735) is 3-(3,4-dimethylphenyl)-2,2-dimethyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-2,2-dimethyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(3,4-dimethylphenyl)-2,2-dimethyl-N-propan-2-ylpropan-1-amine is Cc1ccc(CC(C)(C)CNC(C)C)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)-2,2-dimethyl-N-propan-2-ylpropan-1-amine?
The InChIKey is IFWSHPBXIAGGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-12(2)17-11-16(5,6)10-15-8-7-13(3)14(4)9-15/h7-9,12,17H,10-11H2,1-6H3.
What are the key properties of 3-(3,4-dimethylphenyl)-2,2-dimethyl-N-propan-2-ylpropan-1-amine?
3-(3,4-dimethylphenyl)-2,2-dimethyl-N-propan-2-ylpropan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-2,2-dimethyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 62723735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).