(1S,2R)-1-phenylbutane-1,2-diamine

C10H16N2 — CID 10702186

IUPAC(1S,2R)-1-phenylbutane-1,2-diamine
SMILESCC[C@@H](N)[C@@H](N)c1ccccc1
InChIInChI=1S/C10H16N2/c1-2-9(11)10(12)8-6-4-3-5-7-8/h3-7,9-10H,2,11-12H2,1H3/t9-,10+/m1/s1
InChIKeyUAPMHEYCIXSVSK-ZJUUUORDSA-N
MW164.25 g/mol
LogP1.42
Rot. Bonds3

About (1S,2R)-1-phenylbutane-1,2-diamine

(1S,2R)-1-phenylbutane-1,2-diamine (PubChem CID 10702186) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (1S,2R)-1-phenylbutane-1,2-diamine.

Molecular Properties

Compound Name(1S,2R)-1-phenylbutane-1,2-diamine
PubChem CID10702186
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(1S,2R)-1-phenylbutane-1,2-diamine
SMILESCC[C@@H](N)[C@@H](N)c1ccccc1
InChIInChI=1S/C10H16N2/c1-2-9(11)10(12)8-6-4-3-5-7-8/h3-7,9-10H,2,11-12H2,1H3/t9-,10+/m1/s1
InChIKeyUAPMHEYCIXSVSK-ZJUUUORDSA-N
XLogP1.42
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2S)-2-amino-1-phenylbutan-1-ol
CID 36689126
2-phenylpentane-1,3-diamine
CID 57298875
2-methoxy-1-phenylbutan-1-amine
CID 43211581
2-methyl-1-phenylpropan-1-amine;1-phenylpropan-1-amine
CID 159334217
(1S)-1-phenylpropan-1-amine;hydrochloride
CID 44542268
(1R,2R)-2-fluoro-1,2-diphenylethanamine
CID 12617058
2-phenoxy-1-phenylbutan-1-amine
CID 43211594
1-methoxy-2-phenylpentan-3-amine
CID 103466357
2-N-methyl-1-phenyl-2-N-propan-2-ylbutane-1,2-diamine
CID 43211372
2-N,2-N-diethyl-1-phenylpropane-1,2-diamine
CID 16784984
1-phenyl-2-(2-propan-2-yloxyethoxy)butan-1-amine
CID 43211618
1,2,3-triphenylpropane-1,3-diamine
CID 67052848

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-phenylbutane-1,2-diamine?
The IUPAC name of (1S,2R)-1-phenylbutane-1,2-diamine (CID 10702186) is (1S,2R)-1-phenylbutane-1,2-diamine.
What is the SMILES notation for (1S,2R)-1-phenylbutane-1,2-diamine?
The canonical SMILES for (1S,2R)-1-phenylbutane-1,2-diamine is CC[C@@H](N)[C@@H](N)c1ccccc1.
What is the InChIKey of (1S,2R)-1-phenylbutane-1,2-diamine?
The InChIKey is UAPMHEYCIXSVSK-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H16N2/c1-2-9(11)10(12)8-6-4-3-5-7-8/h3-7,9-10H,2,11-12H2,1H3/t9-,10+/m1/s1.
What are the key properties of (1S,2R)-1-phenylbutane-1,2-diamine?
(1S,2R)-1-phenylbutane-1,2-diamine has a molecular weight of 164.25 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-phenylbutane-1,2-diamine is sourced from PubChem (CID 10702186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).