3,3-dimethyl-4-(2-methylphenyl)-N-propan-2-ylbutan-1-amine

C16H27N — CID 81022087

IUPAC3,3-dimethyl-4-(2-methylphenyl)-N-propan-2-ylbutan-1-amine
SMILESCc1ccccc1CC(C)(C)CCNC(C)C
InChIInChI=1S/C16H27N/c1-13(2)17-11-10-16(4,5)12-15-9-7-6-8-14(15)3/h6-9,13,17H,10-12H2,1-5H3
InChIKeyUHLUPYSBFHVTAH-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.95
Rot. Bonds6

About 3,3-dimethyl-4-(2-methylphenyl)-N-propan-2-ylbutan-1-amine

3,3-dimethyl-4-(2-methylphenyl)-N-propan-2-ylbutan-1-amine (PubChem CID 81022087) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 3,3-dimethyl-4-(2-methylphenyl)-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-4-(2-methylphenyl)-N-propan-2-ylbutan-1-amine
PubChem CID81022087
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name3,3-dimethyl-4-(2-methylphenyl)-N-propan-2-ylbutan-1-amine
SMILESCc1ccccc1CC(C)(C)CCNC(C)C
InChIInChI=1S/C16H27N/c1-13(2)17-11-10-16(4,5)12-15-9-7-6-8-14(15)3/h6-9,13,17H,10-12H2,1-5H3
InChIKeyUHLUPYSBFHVTAH-UHFFFAOYSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-dimethyl-4-(2-methylphenyl)-N-propylbutan-1-amine
CID 81023143
4-(3-chloro-2-fluorophenyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 102864418
4,4-dimethyl-5-(2-methylphenyl)-N-propylpentan-2-amine
CID 64715133
3,3-dimethyl-N-propan-2-yl-4-(2,4,6-trimethylphenyl)butan-1-amine
CID 81022510
2-cyclopropyl-2-methyl-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 83159965
2-methyl-2-[(2-methylphenyl)methyl]-N-propan-2-ylbut-3-en-1-amine
CID 102641068
4-(5-chloro-2-fluorophenyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 103051801
2,2-dimethyl-3-(2-methylphenyl)-N-propylpropan-1-amine
CID 62723929
4-(3-chlorophenyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 81021801
1-(2,2-dimethylpropyl)-2-methylbenzene
CID 21464495
4-(3-bromophenyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 81022084
3,3-dimethyl-N-propan-2-yl-4-pyridin-3-ylbutan-1-amine
CID 104737370

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(2-methylphenyl)-N-propan-2-ylbutan-1-amine?
The IUPAC name of 3,3-dimethyl-4-(2-methylphenyl)-N-propan-2-ylbutan-1-amine (CID 81022087) is 3,3-dimethyl-4-(2-methylphenyl)-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3,3-dimethyl-4-(2-methylphenyl)-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 3,3-dimethyl-4-(2-methylphenyl)-N-propan-2-ylbutan-1-amine is Cc1ccccc1CC(C)(C)CCNC(C)C.
What is the InChIKey of 3,3-dimethyl-4-(2-methylphenyl)-N-propan-2-ylbutan-1-amine?
The InChIKey is UHLUPYSBFHVTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-13(2)17-11-10-16(4,5)12-15-9-7-6-8-14(15)3/h6-9,13,17H,10-12H2,1-5H3.
What are the key properties of 3,3-dimethyl-4-(2-methylphenyl)-N-propan-2-ylbutan-1-amine?
3,3-dimethyl-4-(2-methylphenyl)-N-propan-2-ylbutan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(2-methylphenyl)-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 81022087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).