(2S,3S)-3-benzylpentan-2-amine

C12H19N — CID 93427085

IUPAC(2S,3S)-3-benzylpentan-2-amine
SMILESCC[C@@H](Cc1ccccc1)[C@H](C)N
InChIInChI=1S/C12H19N/c1-3-12(10(2)13)9-11-7-5-4-6-8-11/h4-8,10,12H,3,9,13H2,1-2H3/t10-,12-/m0/s1
InChIKeyKOUNZUPXGIVFIA-JQWIXIFHSA-N
MW177.29 g/mol
LogP2.60
Rot. Bonds4

About (2S,3S)-3-benzylpentan-2-amine

(2S,3S)-3-benzylpentan-2-amine (PubChem CID 93427085) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is (2S,3S)-3-benzylpentan-2-amine.

Molecular Properties

Compound Name(2S,3S)-3-benzylpentan-2-amine
PubChem CID93427085
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name(2S,3S)-3-benzylpentan-2-amine
SMILESCC[C@@H](Cc1ccccc1)[C@H](C)N
InChIInChI=1S/C12H19N/c1-3-12(10(2)13)9-11-7-5-4-6-8-11/h4-8,10,12H,3,9,13H2,1-2H3/t10-,12-/m0/s1
InChIKeyKOUNZUPXGIVFIA-JQWIXIFHSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-benzyl-2-methylhexan-3-amine
CID 79299139
4-benzylhexan-3-amine
CID 79307662
[(2S)-2-ethyl-3-methylbutyl]benzene
CID 59911229
ethane;(2-ethyl-3-methylbutyl)benzene
CID 166139706
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483
(2-benzyl-3-methylbutyl)benzene
CID 22277918
(2R)-2-benzyl-3-methylpentan-1-ol
CID 15214035
3-[(2-fluorophenyl)methyl]pentan-2-amine
CID 60999151
azane;1-phenylpropan-2-amine
CID 67350534
2-benzyl-3-methylbutan-1-amine
CID 59900587
(2R)-3-methyl-1-phenylbutan-2-amine
CID 11390020
potassium;1-phenylpropan-2-amine;iodide
CID 70390373

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-benzylpentan-2-amine?
The IUPAC name of (2S,3S)-3-benzylpentan-2-amine (CID 93427085) is (2S,3S)-3-benzylpentan-2-amine.
What is the SMILES notation for (2S,3S)-3-benzylpentan-2-amine?
The canonical SMILES for (2S,3S)-3-benzylpentan-2-amine is CC[C@@H](Cc1ccccc1)[C@H](C)N.
What is the InChIKey of (2S,3S)-3-benzylpentan-2-amine?
The InChIKey is KOUNZUPXGIVFIA-JQWIXIFHSA-N. The full InChI is InChI=1S/C12H19N/c1-3-12(10(2)13)9-11-7-5-4-6-8-11/h4-8,10,12H,3,9,13H2,1-2H3/t10-,12-/m0/s1.
What are the key properties of (2S,3S)-3-benzylpentan-2-amine?
(2S,3S)-3-benzylpentan-2-amine has a molecular weight of 177.29 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-benzylpentan-2-amine is sourced from PubChem (CID 93427085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).