(2R)-2-benzylbutan-1-amine

C11H17N — CID 42325983

IUPAC(2R)-2-benzylbutan-1-amine
SMILESCCC(CN)Cc1ccccc1
InChIInChI=1S/C11H17N/c1-2-10(9-12)8-11-6-4-3-5-7-11/h3-7,10H,2,8-9,12H2,1H3
InChIKeyGGYONGNXNLXRAS-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.21
Rot. Bonds4

About (2R)-2-benzylbutan-1-amine

(2R)-2-benzylbutan-1-amine (PubChem CID 42325983) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (2R)-2-benzylbutan-1-amine.

Molecular Properties

Compound Name(2R)-2-benzylbutan-1-amine
PubChem CID42325983
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(2R)-2-benzylbutan-1-amine
SMILESCCC(CN)Cc1ccccc1
InChIInChI=1S/C11H17N/c1-2-10(9-12)8-11-6-4-3-5-7-11/h3-7,10H,2,8-9,12H2,1H3
InChIKeyGGYONGNXNLXRAS-UHFFFAOYSA-N
XLogP2.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-benzyl-3-phenylpropan-1-amine;hydrochloride
CID 75481010
2-ethylbutylbenzene;methane
CID 158777195
2-benzyl-3-(4-methylphenyl)propan-1-amine
CID 62504695
2-benzyl-N',N'-dimethylpropane-1,3-diamine
CID 23008665
2-[(4-ethylsulfanylphenyl)methyl]butan-1-amine
CID 116930905
2-benzylbutane-1-sulfonamide
CID 68809257
2-benzyl-5-ethoxypentan-1-amine
CID 65180415
3-benzylpentanoic acid
CID 57185920
2-methyl-3-phenylpropan-1-amine
CID 12672558
2-benzyl-N-propan-2-ylbutan-1-amine
CID 62528668
2-(thiophen-3-ylmethyl)butan-1-amine
CID 62503668
2-benzyl-6-methoxyhexan-1-amine
CID 104649139

Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzylbutan-1-amine?
The IUPAC name of (2R)-2-benzylbutan-1-amine (CID 42325983) is (2R)-2-benzylbutan-1-amine.
What is the SMILES notation for (2R)-2-benzylbutan-1-amine?
The canonical SMILES for (2R)-2-benzylbutan-1-amine is CCC(CN)Cc1ccccc1.
What is the InChIKey of (2R)-2-benzylbutan-1-amine?
The InChIKey is GGYONGNXNLXRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-2-10(9-12)8-11-6-4-3-5-7-11/h3-7,10H,2,8-9,12H2,1H3.
What are the key properties of (2R)-2-benzylbutan-1-amine?
(2R)-2-benzylbutan-1-amine has a molecular weight of 163.26 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzylbutan-1-amine is sourced from PubChem (CID 42325983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).