1-(4-chlorophenyl)-3,3-dimethylbutan-1-amine

C12H18ClN — CID 43184844

IUPAC1-(4-chlorophenyl)-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)CC(N)c1ccc(Cl)cc1
InChIInChI=1S/C12H18ClN/c1-12(2,3)8-11(14)9-4-6-10(13)7-5-9/h4-7,11H,8,14H2,1-3H3
InChIKeyOOXVXVVHOKQXIZ-UHFFFAOYSA-N
MW211.74 g/mol
LogP3.78
Rot. Bonds2

About 1-(4-chlorophenyl)-3,3-dimethylbutan-1-amine

1-(4-chlorophenyl)-3,3-dimethylbutan-1-amine (PubChem CID 43184844) has the molecular formula C12H18ClN and a molecular weight of 211.74 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3,3-dimethylbutan-1-amine
PubChem CID43184844
Molecular FormulaC12H18ClN
Molecular Weight211.74 g/mol
Exact Mass211.11
IUPAC Name1-(4-chlorophenyl)-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)CC(N)c1ccc(Cl)cc1
InChIInChI=1S/C12H18ClN/c1-12(2,3)8-11(14)9-4-6-10(13)7-5-9/h4-7,11H,8,14H2,1-3H3
InChIKeyOOXVXVVHOKQXIZ-UHFFFAOYSA-N
XLogP3.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.74
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-3,3-dimethylbutane-1,4-diamine
CID 116934580
4-(1-amino-3,3-dimethylbutyl)aniline
CID 130042000
3,3-dimethyl-1-(4-methylphenyl)butan-1-amine;hydrochloride
CID 86263009
1-(4-butan-2-ylphenyl)-3,3-dimethylbutan-1-amine
CID 43103849
1-(4-chlorophenyl)-2-fluoroethanamine
CID 83816513
2-amino-2-(4-chlorophenyl)-N,N-dimethylethanesulfonamide
CID 82359794
(2R)-2-amino-2-(4-chlorophenyl)ethanol;hydrochloride
CID 67033243
3-amino-3-(4-chlorophenyl)propan-1-ol
CID 17039435
1-(4-chlorophenyl)-3,3-dimethylbutane-1,2-diamine
CID 69494037
1-[4-(4-chlorophenyl)phenyl]ethane-1,2-diamine
CID 170894784
1-(4-chlorophenyl)-3-methoxypropan-1-amine;hydrochloride
CID 71756127
3-(4-chlorophenyl)-5,5-dimethylhexanoic acid
CID 82298975

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3,3-dimethylbutan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-3,3-dimethylbutan-1-amine (CID 43184844) is 1-(4-chlorophenyl)-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-3,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-3,3-dimethylbutan-1-amine is CC(C)(C)CC(N)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3,3-dimethylbutan-1-amine?
The InChIKey is OOXVXVVHOKQXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN/c1-12(2,3)8-11(14)9-4-6-10(13)7-5-9/h4-7,11H,8,14H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-3,3-dimethylbutan-1-amine?
1-(4-chlorophenyl)-3,3-dimethylbutan-1-amine has a molecular weight of 211.74 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 43184844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).