2,2-dimethyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine

C15H25N — CID 43093450

IUPAC2,2-dimethyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine
SMILESCC(C)Cc1ccc(C(N)C(C)(C)C)cc1
InChIInChI=1S/C15H25N/c1-11(2)10-12-6-8-13(9-7-12)14(16)15(3,4)5/h6-9,11,14H,10,16H2,1-5H3
InChIKeyQKISQISYDLNIKA-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.93
Rot. Bonds3

About 2,2-dimethyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine

2,2-dimethyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine (PubChem CID 43093450) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine
PubChem CID43093450
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name2,2-dimethyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine
SMILESCC(C)Cc1ccc(C(N)C(C)(C)C)cc1
InChIInChI=1S/C15H25N/c1-11(2)10-12-6-8-13(9-7-12)14(16)15(3,4)5/h6-9,11,14H,10,16H2,1-5H3
InChIKeyQKISQISYDLNIKA-UHFFFAOYSA-N
XLogP3.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyl-1-(4-propylphenyl)propan-1-amine
CID 43198125
1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene
CID 11044622
[4-(2-methylpropyl)phenyl]-phenylmethanamine
CID 43198176
(4-ethylphenyl)-[4-(2-methylpropyl)phenyl]methanamine
CID 43109928
N'-methyl-N'-(2-methylpropyl)-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine
CID 43272065
ethyl 2-amino-3-[4-(1-amino-2,2-dimethylpropyl)phenyl]propanoate
CID 69334174
(2R)-2-amino-2-[4-(2-methylpropyl)phenyl]acetonitrile
CID 130986917
(2S)-2-amino-2-[4-(2-methylpropyl)phenyl]acetonitrile
CID 130806036
2-[amino-[4-(2-methylpropyl)phenyl]methyl]-3-methylbutan-1-ol
CID 116945596
ethane;methane;1-(2-methylpropyl)-4-propan-2-ylbenzene
CID 144724990
2-methoxy-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 16786344
N-[bis[4-(2-methylpropyl)phenyl]methyl]-2-methylpropan-2-amine;2,2-dimethylpropane;methane
CID 158178381

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine?
The IUPAC name of 2,2-dimethyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine (CID 43093450) is 2,2-dimethyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine?
The canonical SMILES for 2,2-dimethyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine is CC(C)Cc1ccc(C(N)C(C)(C)C)cc1.
What is the InChIKey of 2,2-dimethyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine?
The InChIKey is QKISQISYDLNIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-11(2)10-12-6-8-13(9-7-12)14(16)15(3,4)5/h6-9,11,14H,10,16H2,1-5H3.
What are the key properties of 2,2-dimethyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine?
2,2-dimethyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine has a molecular weight of 219.37 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine is sourced from PubChem (CID 43093450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).