(2S)-2-phenylbutane-2,3-diamine

C10H16N2 — CID 175403934

IUPAC(2S)-2-phenylbutane-2,3-diamine
SMILESCC(N)[C@@](C)(N)c1ccccc1
InChIInChI=1S/C10H16N2/c1-8(11)10(2,12)9-6-4-3-5-7-9/h3-8H,11-12H2,1-2H3/t8?,10-/m1/s1
InChIKeyKQQQSVCIYVATTK-LHIURRSHSA-N
MW164.25 g/mol
LogP1.21
Rot. Bonds2

About (2S)-2-phenylbutane-2,3-diamine

(2S)-2-phenylbutane-2,3-diamine (PubChem CID 175403934) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (2S)-2-phenylbutane-2,3-diamine.

Molecular Properties

Compound Name(2S)-2-phenylbutane-2,3-diamine
PubChem CID175403934
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(2S)-2-phenylbutane-2,3-diamine
SMILESCC(N)[C@@](C)(N)c1ccccc1
InChIInChI=1S/C10H16N2/c1-8(11)10(2,12)9-6-4-3-5-7-9/h3-8H,11-12H2,1-2H3/t8?,10-/m1/s1
InChIKeyKQQQSVCIYVATTK-LHIURRSHSA-N
XLogP1.21
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1,1-diphenylpropane-1,2-diamine
CID 11172185
3-methyl-3-phenylbutan-2-amine;hydrochloride
CID 24841347
3-methyl-2-phenylhexan-2-amine
CID 107892285
3-amino-2-methyl-2-phenylbutanoic acid
CID 67114284
1,1-diphenylethanamine
CID 12761172
2-N,2-N,2-triphenylbutane-2,3-diamine
CID 67601655
2-pyridin-2-ylbutane-2,3-diamine
CID 87362021
1-(3-methylthiophen-2-yl)-2-phenylpropane-1,2-diamine
CID 57170440
1-phenyl-1-N'-[(1R)-1-phenylethyl]ethane-1,1-diamine
CID 134968939
3-methyl-1,1,1-triphenylbutan-2-amine
CID 67050578
1-N'-methyl-1-phenylethane-1,1-diamine
CID 143337584
1-(1,1-diphenylethoxy)ethanamine
CID 66761557

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenylbutane-2,3-diamine?
The IUPAC name of (2S)-2-phenylbutane-2,3-diamine (CID 175403934) is (2S)-2-phenylbutane-2,3-diamine.
What is the SMILES notation for (2S)-2-phenylbutane-2,3-diamine?
The canonical SMILES for (2S)-2-phenylbutane-2,3-diamine is CC(N)[C@@](C)(N)c1ccccc1.
What is the InChIKey of (2S)-2-phenylbutane-2,3-diamine?
The InChIKey is KQQQSVCIYVATTK-LHIURRSHSA-N. The full InChI is InChI=1S/C10H16N2/c1-8(11)10(2,12)9-6-4-3-5-7-9/h3-8H,11-12H2,1-2H3/t8?,10-/m1/s1.
What are the key properties of (2S)-2-phenylbutane-2,3-diamine?
(2S)-2-phenylbutane-2,3-diamine has a molecular weight of 164.25 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenylbutane-2,3-diamine is sourced from PubChem (CID 175403934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).