3,3-dimethyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-amine

C16H27N — CID 83139380

IUPAC3,3-dimethyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-amine
SMILESCC(C)c1ccc(CC(CN)C(C)(C)C)cc1
InChIInChI=1S/C16H27N/c1-12(2)14-8-6-13(7-9-14)10-15(11-17)16(3,4)5/h6-9,12,15H,10-11,17H2,1-5H3
InChIKeyJCNRXUABZBVVSM-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.97
Rot. Bonds4

About 3,3-dimethyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-amine

3,3-dimethyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-amine (PubChem CID 83139380) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 3,3-dimethyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-amine
PubChem CID83139380
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name3,3-dimethyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-amine
SMILESCC(C)c1ccc(CC(CN)C(C)(C)C)cc1
InChIInChI=1S/C16H27N/c1-12(2)14-8-6-13(7-9-14)10-15(11-17)16(3,4)5/h6-9,12,15H,10-11,17H2,1-5H3
InChIKeyJCNRXUABZBVVSM-UHFFFAOYSA-N
XLogP3.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-dimethyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-ol
CID 83138672
2,3-dimethyl-4-(4-propan-2-ylphenyl)butan-1-amine
CID 81014991
[3,3-dimethyl-1-(4-propan-2-ylphenyl)butan-2-yl]hydrazine
CID 105202909
2-[(4-chlorophenyl)methyl]-3-(4-propan-2-ylphenyl)propan-1-amine
CID 63497236
3,3-dimethyl-1-(4-propan-2-ylphenyl)pentan-2-amine
CID 115844296
1-(4-aminophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 106695441
1-(2-bromopropyl)-4-propan-2-ylbenzene
CID 82254877
(2S)-2-(aminomethyl)-3-(4-propan-2-ylphenyl)propanoic acid
CID 42329580
3-methoxy-3-methyl-1-(4-propan-2-ylphenyl)butan-2-amine
CID 79197659
(2R)-2-(aminomethyl)-3-(4-propan-2-ylphenyl)propanoic acid
CID 42329583
ethane;methane;1-(2-methylpropyl)-4-propan-2-ylbenzene
CID 144724990
2,2-dimethyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine
CID 43093450

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-amine?
The IUPAC name of 3,3-dimethyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-amine (CID 83139380) is 3,3-dimethyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-amine.
What is the SMILES notation for 3,3-dimethyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-amine?
The canonical SMILES for 3,3-dimethyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-amine is CC(C)c1ccc(CC(CN)C(C)(C)C)cc1.
What is the InChIKey of 3,3-dimethyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-amine?
The InChIKey is JCNRXUABZBVVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-12(2)14-8-6-13(7-9-14)10-15(11-17)16(3,4)5/h6-9,12,15H,10-11,17H2,1-5H3.
What are the key properties of 3,3-dimethyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-amine?
3,3-dimethyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-amine is sourced from PubChem (CID 83139380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).