(1R)-2,2-dimethyl-1-(4-methylphenyl)butan-1-amine

C13H21N — CID 145315070

IUPAC(1R)-2,2-dimethyl-1-(4-methylphenyl)butan-1-amine
SMILESCCC(C)(C)[C@@H](N)c1ccc(C)cc1
InChIInChI=1S/C13H21N/c1-5-13(3,4)12(14)11-8-6-10(2)7-9-11/h6-9,12H,5,14H2,1-4H3/t12-/m0/s1
InChIKeyKJDATJPLNZIZHL-LBPRGKRZSA-N
MW191.32 g/mol
LogP3.43
Rot. Bonds3

About (1R)-2,2-dimethyl-1-(4-methylphenyl)butan-1-amine

(1R)-2,2-dimethyl-1-(4-methylphenyl)butan-1-amine (PubChem CID 145315070) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is (1R)-2,2-dimethyl-1-(4-methylphenyl)butan-1-amine.

Molecular Properties

Compound Name(1R)-2,2-dimethyl-1-(4-methylphenyl)butan-1-amine
PubChem CID145315070
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name(1R)-2,2-dimethyl-1-(4-methylphenyl)butan-1-amine
SMILESCCC(C)(C)[C@@H](N)c1ccc(C)cc1
InChIInChI=1S/C13H21N/c1-5-13(3,4)12(14)11-8-6-10(2)7-9-11/h6-9,12H,5,14H2,1-4H3/t12-/m0/s1
InChIKeyKJDATJPLNZIZHL-LBPRGKRZSA-N
XLogP3.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2,2-dimethyl-1-(4-methylphenyl)butyl]hydrazine
CID 105285455
(1S)-1-amino-2-methyl-1-(4-methylphenyl)propan-2-ol
CID 144598850
(1S)-2,2,2-trifluoro-1-(4-methylphenyl)ethanamine
CID 56971822
3,3-dimethylpentane;ethane;1,4-xylene
CID 142196202
(1S)-1-(4-methylphenyl)propan-1-amine
CID 7028357
2,2-dimethyl-1-(4-methylphenyl)-N-propylbutan-1-amine
CID 63504197
6-(1-amino-2,2-dimethylbutyl)-1,4-dihydroquinoxaline-2,3-dione
CID 62678408
ethane;1-(4-methylphenyl)propan-1-amine
CID 142982263
(3S)-3-amino-2,2-difluoro-3-(4-methylphenyl)propan-1-ol;hydrochloride
CID 171250401
3,3-dimethyl-1-(4-methylphenyl)butan-1-amine;hydrochloride
CID 86263009
2,2-dimethyl-1-[4-(2-methylbutan-2-yl)phenyl]propan-1-amine
CID 66259173
1-(5-bromonaphthalen-2-yl)-2,2-dimethylbutan-1-amine
CID 139609907

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-dimethyl-1-(4-methylphenyl)butan-1-amine?
The IUPAC name of (1R)-2,2-dimethyl-1-(4-methylphenyl)butan-1-amine (CID 145315070) is (1R)-2,2-dimethyl-1-(4-methylphenyl)butan-1-amine.
What is the SMILES notation for (1R)-2,2-dimethyl-1-(4-methylphenyl)butan-1-amine?
The canonical SMILES for (1R)-2,2-dimethyl-1-(4-methylphenyl)butan-1-amine is CCC(C)(C)[C@@H](N)c1ccc(C)cc1.
What is the InChIKey of (1R)-2,2-dimethyl-1-(4-methylphenyl)butan-1-amine?
The InChIKey is KJDATJPLNZIZHL-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H21N/c1-5-13(3,4)12(14)11-8-6-10(2)7-9-11/h6-9,12H,5,14H2,1-4H3/t12-/m0/s1.
What are the key properties of (1R)-2,2-dimethyl-1-(4-methylphenyl)butan-1-amine?
(1R)-2,2-dimethyl-1-(4-methylphenyl)butan-1-amine has a molecular weight of 191.32 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-dimethyl-1-(4-methylphenyl)butan-1-amine is sourced from PubChem (CID 145315070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).