4-(4-tert-butylphenyl)-N,N-dimethylbutan-2-amine

C16H27N — CID 19885160

IUPAC4-(4-tert-butylphenyl)-N,N-dimethylbutan-2-amine
SMILESCC(CCc1ccc(C(C)(C)C)cc1)N(C)C
InChIInChI=1S/C16H27N/c1-13(17(5)6)7-8-14-9-11-15(12-10-14)16(2,3)4/h9-13H,7-8H2,1-6H3
InChIKeyUCBFNEWMOFJOLO-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.87
Rot. Bonds4

About 4-(4-tert-butylphenyl)-N,N-dimethylbutan-2-amine

4-(4-tert-butylphenyl)-N,N-dimethylbutan-2-amine (PubChem CID 19885160) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-N,N-dimethylbutan-2-amine.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-N,N-dimethylbutan-2-amine
PubChem CID19885160
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name4-(4-tert-butylphenyl)-N,N-dimethylbutan-2-amine
SMILESCC(CCc1ccc(C(C)(C)C)cc1)N(C)C
InChIInChI=1S/C16H27N/c1-13(17(5)6)7-8-14-9-11-15(12-10-14)16(2,3)4/h9-13H,7-8H2,1-6H3
InChIKeyUCBFNEWMOFJOLO-UHFFFAOYSA-N
XLogP3.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-tert-butylphenyl)-N-ethylbutan-2-amine
CID 60995834
1-tert-butyl-4-(4-chloro-3-methylbutyl)benzene
CID 64665458
4-(4-tert-butylphenyl)-2-methylbutan-1-ol
CID 64666507
1-N-[(4-tert-butylphenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913292
N,N-dimethyl-4-[4-(3-methylbutoxy)phenyl]butan-2-amine
CID 19885290
N,N-dimethyl-4-(4-phenylmethoxyphenyl)butan-2-amine
CID 19885180
4-[4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylbutan-2-amine;dihydrochloride
CID 19885274
4-[3-[methyl(2-methylbutan-2-yl)amino]butyl]phenol
CID 82981079
6-(4-tert-butylphenyl)-2-methylhexan-3-amine
CID 64504626
2-N-[(4-tert-butylphenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 117039966
N,N-dimethyl-5-phenylpentan-2-amine
CID 12951765
1-tert-butyl-4-ethylbenzene
CID 157359507

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-N,N-dimethylbutan-2-amine?
The IUPAC name of 4-(4-tert-butylphenyl)-N,N-dimethylbutan-2-amine (CID 19885160) is 4-(4-tert-butylphenyl)-N,N-dimethylbutan-2-amine.
What is the SMILES notation for 4-(4-tert-butylphenyl)-N,N-dimethylbutan-2-amine?
The canonical SMILES for 4-(4-tert-butylphenyl)-N,N-dimethylbutan-2-amine is CC(CCc1ccc(C(C)(C)C)cc1)N(C)C.
What is the InChIKey of 4-(4-tert-butylphenyl)-N,N-dimethylbutan-2-amine?
The InChIKey is UCBFNEWMOFJOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-13(17(5)6)7-8-14-9-11-15(12-10-14)16(2,3)4/h9-13H,7-8H2,1-6H3.
What are the key properties of 4-(4-tert-butylphenyl)-N,N-dimethylbutan-2-amine?
4-(4-tert-butylphenyl)-N,N-dimethylbutan-2-amine has a molecular weight of 233.40 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-N,N-dimethylbutan-2-amine is sourced from PubChem (CID 19885160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).