(3R)-3-amino-3-(4-aminophenyl)propan-1-ol

C9H14N2O — CID 25417365

IUPAC(3R)-3-amino-3-(4-aminophenyl)propan-1-ol
SMILESNc1ccc([C@H](N)CCO)cc1
InChIInChI=1S/C9H14N2O/c10-8-3-1-7(2-4-8)9(11)5-6-12/h1-4,9,12H,5-6,10-11H2/t9-/m1/s1
InChIKeySCFUGEWKEVDJDU-SECBINFHSA-N
MW166.22 g/mol
LogP0.65
Rot. Bonds3

About (3R)-3-amino-3-(4-aminophenyl)propan-1-ol

(3R)-3-amino-3-(4-aminophenyl)propan-1-ol (PubChem CID 25417365) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is (3R)-3-amino-3-(4-aminophenyl)propan-1-ol.

Molecular Properties

Compound Name(3R)-3-amino-3-(4-aminophenyl)propan-1-ol
PubChem CID25417365
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name(3R)-3-amino-3-(4-aminophenyl)propan-1-ol
SMILESNc1ccc([C@H](N)CCO)cc1
InChIInChI=1S/C9H14N2O/c10-8-3-1-7(2-4-8)9(11)5-6-12/h1-4,9,12H,5-6,10-11H2/t9-/m1/s1
InChIKeySCFUGEWKEVDJDU-SECBINFHSA-N
XLogP0.65
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-3-(4-chlorophenyl)propan-1-ol
CID 17039435
4-[(1S)-1-aminobutyl]aniline;dihydrochloride
CID 53484663
4-[3-amino-3-(4-aminophenyl)propyl]aniline
CID 22432
3-amino-3-[4-(4-methylphenyl)phenyl]propan-1-ol;hydrochloride
CID 170875108
3-amino-3-(4-phenylphenyl)propan-1-ol;hydrochloride
CID 170874439
3-amino-3-pyridin-4-ylpropan-1-ol;dihydrochloride
CID 122156680
4-[(1S)-1-amino-3-hydroxypropyl]benzonitrile;hydrochloride
CID 171217708
4-[(1S)-1-amino-3-hydroxypropyl]benzoic acid;hydrochloride
CID 171217673
1-[4-(1-amino-3-hydroxypropyl)phenyl]ethanone
CID 170874851
3-amino-3-(4-ethoxyphenyl)propan-1-ol
CID 3846701
1-[4-(1-amino-3-hydroxypropyl)phenyl]ethanone;hydrochloride
CID 170874850
3-amino-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol
CID 82616433

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(4-aminophenyl)propan-1-ol?
The IUPAC name of (3R)-3-amino-3-(4-aminophenyl)propan-1-ol (CID 25417365) is (3R)-3-amino-3-(4-aminophenyl)propan-1-ol.
What is the SMILES notation for (3R)-3-amino-3-(4-aminophenyl)propan-1-ol?
The canonical SMILES for (3R)-3-amino-3-(4-aminophenyl)propan-1-ol is Nc1ccc([C@H](N)CCO)cc1.
What is the InChIKey of (3R)-3-amino-3-(4-aminophenyl)propan-1-ol?
The InChIKey is SCFUGEWKEVDJDU-SECBINFHSA-N. The full InChI is InChI=1S/C9H14N2O/c10-8-3-1-7(2-4-8)9(11)5-6-12/h1-4,9,12H,5-6,10-11H2/t9-/m1/s1.
What are the key properties of (3R)-3-amino-3-(4-aminophenyl)propan-1-ol?
(3R)-3-amino-3-(4-aminophenyl)propan-1-ol has a molecular weight of 166.22 g/mol, XLogP of 0.65, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(4-aminophenyl)propan-1-ol is sourced from PubChem (CID 25417365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).