(3S)-2-methyl-3-phenylbutan-1-amine

C11H17N — CID 143116656

IUPAC(3S)-2-methyl-3-phenylbutan-1-amine
SMILESCC(CN)[C@H](C)c1ccccc1
InChIInChI=1S/C11H17N/c1-9(8-12)10(2)11-6-4-3-5-7-11/h3-7,9-10H,8,12H2,1-2H3/t9?,10-/m0/s1
InChIKeyGOYSFPVWJPVZFN-AXDSSHIGSA-N
MW163.26 g/mol
LogP2.38
Rot. Bonds3

About (3S)-2-methyl-3-phenylbutan-1-amine

(3S)-2-methyl-3-phenylbutan-1-amine (PubChem CID 143116656) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (3S)-2-methyl-3-phenylbutan-1-amine.

Molecular Properties

Compound Name(3S)-2-methyl-3-phenylbutan-1-amine
PubChem CID143116656
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(3S)-2-methyl-3-phenylbutan-1-amine
SMILESCC(CN)[C@H](C)c1ccccc1
InChIInChI=1S/C11H17N/c1-9(8-12)10(2)11-6-4-3-5-7-11/h3-7,9-10H,8,12H2,1-2H3/t9?,10-/m0/s1
InChIKeyGOYSFPVWJPVZFN-AXDSSHIGSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(2R,3S)-3-methylpentan-2-yl]benzene
CID 142488362
3-(4-fluorophenyl)-2-methylbutan-1-amine
CID 81010865
2-fluoro-3-phenylbutan-1-amine
CID 126843894
(4-iodo-3-methylbutan-2-yl)benzene
CID 121265066
(2S,3R)-2-(aminomethyl)-3-phenylbutan-1-ol
CID 99963418
2-methoxy-3-phenylbutan-1-amine
CID 66071958
methane;[(2S)-3-methylbutan-2-yl]benzene;[(2R)-3-methylbutan-2-yl]benzene
CID 162029093
ethane;[(2S)-3-phenylbutan-2-yl]benzene
CID 143602107
2-N-(3-methyl-2-propan-2-ylbutyl)-3-phenylbutane-1,2-diamine
CID 102912703
3-phenyl-2-(4-propan-2-ylphenyl)butan-1-amine
CID 82140241
2-(aminomethyl)-3-phenylbutanoic acid
CID 69267267
2-methyl-3-(3-propylphenyl)butan-1-amine
CID 116546394

Frequently Asked Questions

What is the IUPAC name of (3S)-2-methyl-3-phenylbutan-1-amine?
The IUPAC name of (3S)-2-methyl-3-phenylbutan-1-amine (CID 143116656) is (3S)-2-methyl-3-phenylbutan-1-amine.
What is the SMILES notation for (3S)-2-methyl-3-phenylbutan-1-amine?
The canonical SMILES for (3S)-2-methyl-3-phenylbutan-1-amine is CC(CN)[C@H](C)c1ccccc1.
What is the InChIKey of (3S)-2-methyl-3-phenylbutan-1-amine?
The InChIKey is GOYSFPVWJPVZFN-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H17N/c1-9(8-12)10(2)11-6-4-3-5-7-11/h3-7,9-10H,8,12H2,1-2H3/t9?,10-/m0/s1.
What are the key properties of (3S)-2-methyl-3-phenylbutan-1-amine?
(3S)-2-methyl-3-phenylbutan-1-amine has a molecular weight of 163.26 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-methyl-3-phenylbutan-1-amine is sourced from PubChem (CID 143116656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).