3-(4-tert-butylphenyl)-2-methylpentan-3-amine

C16H27N — CID 63408030

IUPAC3-(4-tert-butylphenyl)-2-methylpentan-3-amine
SMILESCCC(N)(c1ccc(C(C)(C)C)cc1)C(C)C
InChIInChI=1S/C16H27N/c1-7-16(17,12(2)3)14-10-8-13(9-11-14)15(4,5)6/h8-12H,7,17H2,1-6H3
InChIKeyNQOOFKXYKGFWCF-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.20
Rot. Bonds3

About 3-(4-tert-butylphenyl)-2-methylpentan-3-amine

3-(4-tert-butylphenyl)-2-methylpentan-3-amine (PubChem CID 63408030) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-2-methylpentan-3-amine.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-2-methylpentan-3-amine
PubChem CID63408030
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name3-(4-tert-butylphenyl)-2-methylpentan-3-amine
SMILESCCC(N)(c1ccc(C(C)(C)C)cc1)C(C)C
InChIInChI=1S/C16H27N/c1-7-16(17,12(2)3)14-10-8-13(9-11-14)15(4,5)6/h8-12H,7,17H2,1-6H3
InChIKeyNQOOFKXYKGFWCF-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3,4-dimethylphenyl)-2-methylpentan-3-amine
CID 62550637
3-(4-fluoro-3-methylphenyl)-2-methylpentan-3-amine
CID 62791449
3-(4-tert-butylphenyl)pentan-3-amine
CID 60986945
2-(4-tert-butylphenyl)butan-2-amine
CID 62548189
2-(4-tert-butylphenyl)-3-methylbutan-2-amine
CID 62548190
1-(4-tert-butylphenyl)-1-phenylpropan-1-amine
CID 63408284
3-(4-fluorophenyl)-2-N,2-N-dimethylpentane-2,3-diamine
CID 43830303
1-tert-butyl-4-hept-4-yn-2-ylbenzene
CID 83928757
3-(2-fluorophenyl)-2-methylpentan-3-amine
CID 62501287
(3R)-2-methyl-3-phenylheptan-3-amine
CID 53487426
1-tert-butyl-4-(2,3-dimethylbutan-2-yl)benzene;ethane
CID 145287481
2-(4-propan-2-ylphenyl)butan-2-amine
CID 62800595

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-2-methylpentan-3-amine?
The IUPAC name of 3-(4-tert-butylphenyl)-2-methylpentan-3-amine (CID 63408030) is 3-(4-tert-butylphenyl)-2-methylpentan-3-amine.
What is the SMILES notation for 3-(4-tert-butylphenyl)-2-methylpentan-3-amine?
The canonical SMILES for 3-(4-tert-butylphenyl)-2-methylpentan-3-amine is CCC(N)(c1ccc(C(C)(C)C)cc1)C(C)C.
What is the InChIKey of 3-(4-tert-butylphenyl)-2-methylpentan-3-amine?
The InChIKey is NQOOFKXYKGFWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-7-16(17,12(2)3)14-10-8-13(9-11-14)15(4,5)6/h8-12H,7,17H2,1-6H3.
What are the key properties of 3-(4-tert-butylphenyl)-2-methylpentan-3-amine?
3-(4-tert-butylphenyl)-2-methylpentan-3-amine has a molecular weight of 233.40 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-2-methylpentan-3-amine is sourced from PubChem (CID 63408030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).