2-benzyl-3-methylbutan-1-amine

C12H19N — CID 59900587

IUPAC2-benzyl-3-methylbutan-1-amine
SMILESCC(C)C(CN)Cc1ccccc1
InChIInChI=1S/C12H19N/c1-10(2)12(9-13)8-11-6-4-3-5-7-11/h3-7,10,12H,8-9,13H2,1-2H3
InChIKeyHJKKLLPDJVIPSF-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.46
Rot. Bonds4

About 2-benzyl-3-methylbutan-1-amine

2-benzyl-3-methylbutan-1-amine (PubChem CID 59900587) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 2-benzyl-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-benzyl-3-methylbutan-1-amine
PubChem CID59900587
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name2-benzyl-3-methylbutan-1-amine
SMILESCC(C)C(CN)Cc1ccccc1
InChIInChI=1S/C12H19N/c1-10(2)12(9-13)8-11-6-4-3-5-7-11/h3-7,10,12H,8-9,13H2,1-2H3
InChIKeyHJKKLLPDJVIPSF-UHFFFAOYSA-N
XLogP2.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-benzyl-3-methylbutyl)benzene
CID 22277918
[(2S)-2-ethyl-3-methylbutyl]benzene
CID 59911229
(2S,3S)-3-N,3-N,2-tribenzyl-4-methylpentane-1,3-diamine
CID 10992685
(4-methyl-2-propan-2-ylpentyl)benzene
CID 59105661
ethane;(2-ethyl-3-methylbutyl)benzene
CID 166139706
2-methyl-3-phenylpropan-1-amine
CID 12672558
ethane;2-methyl-3-phenylpropan-1-amine
CID 90796605
[(2R)-2-(methoxymethyl)-3-methylbutyl]benzene
CID 58977165
4-benzyl-2-methylhexan-3-amine
CID 79299139
(2R)-3-methyl-1-phenylbutan-2-amine
CID 11390020
(2S,3S)-3-benzylpentan-2-amine
CID 93427085
2-methyl-4-phenylbutane-1,3-diamine
CID 20848308

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-methylbutan-1-amine?
The IUPAC name of 2-benzyl-3-methylbutan-1-amine (CID 59900587) is 2-benzyl-3-methylbutan-1-amine.
What is the SMILES notation for 2-benzyl-3-methylbutan-1-amine?
The canonical SMILES for 2-benzyl-3-methylbutan-1-amine is CC(C)C(CN)Cc1ccccc1.
What is the InChIKey of 2-benzyl-3-methylbutan-1-amine?
The InChIKey is HJKKLLPDJVIPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-10(2)12(9-13)8-11-6-4-3-5-7-11/h3-7,10,12H,8-9,13H2,1-2H3.
What are the key properties of 2-benzyl-3-methylbutan-1-amine?
2-benzyl-3-methylbutan-1-amine has a molecular weight of 177.29 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-methylbutan-1-amine is sourced from PubChem (CID 59900587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).