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

C16H27N — CID 66259173

IUPAC2,2-dimethyl-1-[4-(2-methylbutan-2-yl)phenyl]propan-1-amine
SMILESCCC(C)(C)c1ccc(C(N)C(C)(C)C)cc1
InChIInChI=1S/C16H27N/c1-7-16(5,6)13-10-8-12(9-11-13)14(17)15(2,3)4/h8-11,14H,7,17H2,1-6H3
InChIKeyNTCZQVKXWAOODP-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.42
Rot. Bonds3

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

2,2-dimethyl-1-[4-(2-methylbutan-2-yl)phenyl]propan-1-amine (PubChem CID 66259173) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-(2-methylbutan-2-yl)phenyl]propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-(2-methylbutan-2-yl)phenyl]propan-1-amine
PubChem CID66259173
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name2,2-dimethyl-1-[4-(2-methylbutan-2-yl)phenyl]propan-1-amine
SMILESCCC(C)(C)c1ccc(C(N)C(C)(C)C)cc1
InChIInChI=1S/C16H27N/c1-7-16(5,6)13-10-8-12(9-11-13)14(17)15(2,3)4/h8-11,14H,7,17H2,1-6H3
InChIKeyNTCZQVKXWAOODP-UHFFFAOYSA-N
XLogP4.42
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 ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-[4-(2-methylbutan-2-yl)phenyl]phenyl]propan-1-amine
CID 66258612
1-[(1S)-1-iodoethyl]-4-(2-methylbutan-2-yl)benzene
CID 118596148
1-butan-2-yl-4-(2-methylbutan-2-yl)benzene
CID 54072029
1-(1-chloroethyl)-4-(2-methylbutan-2-yl)benzene
CID 66259205
(1S)-1-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]ethanamine
CID 28537427
[4-(2-methylbutan-2-yl)phenyl]-(3-methylphenyl)methanamine
CID 66258782
(2-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanamine
CID 66259744
2,2-dimethyl-1-(4-propylphenyl)propan-1-amine
CID 43198125
4-(1-amino-2,2-dimethylpropyl)aniline
CID 70658463
methyl-tris[4-(2-methylbutan-2-yl)phenyl]phosphanium
CID 23463777
1-[chloro-(4-ethylphenyl)methyl]-4-(2-methylbutan-2-yl)benzene
CID 66259588
N,2,2-trimethyl-1-[4-(2-methylbutan-2-yl)phenyl]butan-1-amine
CID 66259751

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-(2-methylbutan-2-yl)phenyl]propan-1-amine?
The IUPAC name of 2,2-dimethyl-1-[4-(2-methylbutan-2-yl)phenyl]propan-1-amine (CID 66259173) is 2,2-dimethyl-1-[4-(2-methylbutan-2-yl)phenyl]propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-1-[4-(2-methylbutan-2-yl)phenyl]propan-1-amine?
The canonical SMILES for 2,2-dimethyl-1-[4-(2-methylbutan-2-yl)phenyl]propan-1-amine is CCC(C)(C)c1ccc(C(N)C(C)(C)C)cc1.
What is the InChIKey of 2,2-dimethyl-1-[4-(2-methylbutan-2-yl)phenyl]propan-1-amine?
The InChIKey is NTCZQVKXWAOODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-7-16(5,6)13-10-8-12(9-11-13)14(17)15(2,3)4/h8-11,14H,7,17H2,1-6H3.
What are the key properties of 2,2-dimethyl-1-[4-(2-methylbutan-2-yl)phenyl]propan-1-amine?
2,2-dimethyl-1-[4-(2-methylbutan-2-yl)phenyl]propan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 4.42, 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-methylbutan-2-yl)phenyl]propan-1-amine is sourced from PubChem (CID 66259173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).