(1R)-3-methyl-1-phenylbutan-1-amine

C11H17N — CID 2496575

IUPAC(1R)-3-methyl-1-phenylbutan-1-amine
SMILESCC(C)C[C@@H](N)c1ccccc1
InChIInChI=1S/C11H17N/c1-9(2)8-11(12)10-6-4-3-5-7-10/h3-7,9,11H,8,12H2,1-2H3/t11-/m1/s1
InChIKeyZTLDKBMTEANJRD-LLVKDONJSA-N
MW163.26 g/mol
LogP2.73
Rot. Bonds3

About (1R)-3-methyl-1-phenylbutan-1-amine

(1R)-3-methyl-1-phenylbutan-1-amine (PubChem CID 2496575) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (1R)-3-methyl-1-phenylbutan-1-amine.

Molecular Properties

Compound Name(1R)-3-methyl-1-phenylbutan-1-amine
PubChem CID2496575
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(1R)-3-methyl-1-phenylbutan-1-amine
SMILESCC(C)C[C@@H](N)c1ccccc1
InChIInChI=1S/C11H17N/c1-9(2)8-11(12)10-6-4-3-5-7-10/h3-7,9,11H,8,12H2,1-2H3/t11-/m1/s1
InChIKeyZTLDKBMTEANJRD-LLVKDONJSA-N
XLogP2.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-4-methyl-1-phenylpentan-1-amine
CID 28780030
(1S)-3-methyl-1-(3-propan-2-ylphenyl)butan-1-amine
CID 71074498
(1S,3S)-1-amino-4-methyl-1-phenylpentan-3-ol
CID 50998989
4-[(1R)-1-amino-3-methylbutyl]phenol
CID 130812675
(1S)-3-methyl-1-(3-phenoxyphenyl)butan-1-amine;hydrochloride
CID 171220068
1-(4-butan-2-ylphenyl)-3-methylbutan-1-amine
CID 43097162
3-[(1R)-1-amino-3-methylbutyl]phenol
CID 130824054
(1R)-3-methyl-1-naphthalen-2-ylbutan-1-amine;hydrochloride
CID 171201317
(1S)-1-(3-fluorophenyl)-3-methylbutan-1-amine;hydrochloride
CID 171218667
(1R)-1-(3-fluorophenyl)-3-methylbutan-1-amine;hydrochloride
CID 171199148
(1S)-1-phenylpropan-1-amine;hydrochloride
CID 44542268
(1R,2S)-1-methoxy-4-methyl-1-phenylpentan-2-amine
CID 12051472

Frequently Asked Questions

What is the IUPAC name of (1R)-3-methyl-1-phenylbutan-1-amine?
The IUPAC name of (1R)-3-methyl-1-phenylbutan-1-amine (CID 2496575) is (1R)-3-methyl-1-phenylbutan-1-amine.
What is the SMILES notation for (1R)-3-methyl-1-phenylbutan-1-amine?
The canonical SMILES for (1R)-3-methyl-1-phenylbutan-1-amine is CC(C)C[C@@H](N)c1ccccc1.
What is the InChIKey of (1R)-3-methyl-1-phenylbutan-1-amine?
The InChIKey is ZTLDKBMTEANJRD-LLVKDONJSA-N. The full InChI is InChI=1S/C11H17N/c1-9(2)8-11(12)10-6-4-3-5-7-10/h3-7,9,11H,8,12H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-3-methyl-1-phenylbutan-1-amine?
(1R)-3-methyl-1-phenylbutan-1-amine has a molecular weight of 163.26 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-methyl-1-phenylbutan-1-amine is sourced from PubChem (CID 2496575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).