1-(3,4-dimethylphenyl)-3,4,4-trimethylpentan-1-amine

C16H27N — CID 63833414

IUPAC1-(3,4-dimethylphenyl)-3,4,4-trimethylpentan-1-amine
SMILESCc1ccc(C(N)CC(C)C(C)(C)C)cc1C
InChIInChI=1S/C16H27N/c1-11-7-8-14(9-12(11)2)15(17)10-13(3)16(4,5)6/h7-9,13,15H,10,17H2,1-6H3
InChIKeyBYANRXVDMXINNY-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.38
Rot. Bonds3

About 1-(3,4-dimethylphenyl)-3,4,4-trimethylpentan-1-amine

1-(3,4-dimethylphenyl)-3,4,4-trimethylpentan-1-amine (PubChem CID 63833414) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3,4,4-trimethylpentan-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3,4,4-trimethylpentan-1-amine
PubChem CID63833414
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name1-(3,4-dimethylphenyl)-3,4,4-trimethylpentan-1-amine
SMILESCc1ccc(C(N)CC(C)C(C)(C)C)cc1C
InChIInChI=1S/C16H27N/c1-11-7-8-14(9-12(11)2)15(17)10-13(3)16(4,5)6/h7-9,13,15H,10,17H2,1-6H3
InChIKeyBYANRXVDMXINNY-UHFFFAOYSA-N
XLogP4.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(1-bromo-3,4,4-trimethylpentyl)-1,2-dimethylbenzene
CID 63832623
3,4,4-trimethyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine
CID 115852178
1-(3-ethylphenyl)-3,4,4-trimethylpentan-1-amine
CID 105018666
5-(1-amino-3,4,4-trimethylpentyl)-1,3-dihydrobenzimidazol-2-one
CID 55260322
1-(3,4-dimethylphenyl)-2-propan-2-yloxyethanamine
CID 43184504
1-(3,5-difluorophenyl)-3,4,4-trimethylpentan-1-amine
CID 115851616
N-[1-(3,4-dimethylphenyl)ethyl]-2,3,3-trimethylbutan-1-amine
CID 83143106
(1R)-1-(3,4-dimethylphenyl)ethanamine
CID 7022091
(1R)-1-(3,4-dimethylphenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171200486
5-amino-5-(3,4-dimethylphenyl)-3-methylpentanoic acid
CID 62941465
4-amino-4-(3,4-dimethylphenyl)-2,2-dimethylbutanamide
CID 65297514
3,4,4-trimethyl-1-[3-(trifluoromethoxy)phenyl]pentan-1-amine
CID 115854063

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3,4,4-trimethylpentan-1-amine?
The IUPAC name of 1-(3,4-dimethylphenyl)-3,4,4-trimethylpentan-1-amine (CID 63833414) is 1-(3,4-dimethylphenyl)-3,4,4-trimethylpentan-1-amine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3,4,4-trimethylpentan-1-amine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3,4,4-trimethylpentan-1-amine is Cc1ccc(C(N)CC(C)C(C)(C)C)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3,4,4-trimethylpentan-1-amine?
The InChIKey is BYANRXVDMXINNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-11-7-8-14(9-12(11)2)15(17)10-13(3)16(4,5)6/h7-9,13,15H,10,17H2,1-6H3.
What are the key properties of 1-(3,4-dimethylphenyl)-3,4,4-trimethylpentan-1-amine?
1-(3,4-dimethylphenyl)-3,4,4-trimethylpentan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3,4,4-trimethylpentan-1-amine is sourced from PubChem (CID 63833414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).