(3R)-3-amino-3-(2-amino-5-chlorophenyl)propan-1-ol

C9H13ClN2O — CID 131144046

IUPAC(3R)-3-amino-3-(2-amino-5-chlorophenyl)propan-1-ol
SMILESNc1ccc(Cl)cc1[C@H](N)CCO
InChIInChI=1S/C9H13ClN2O/c10-6-1-2-8(11)7(5-6)9(12)3-4-13/h1-2,5,9,13H,3-4,11-12H2/t9-/m1/s1
InChIKeyXERZHQYNGULVOI-SECBINFHSA-N
MW200.67 g/mol
LogP1.30
Rot. Bonds3

About (3R)-3-amino-3-(2-amino-5-chlorophenyl)propan-1-ol

(3R)-3-amino-3-(2-amino-5-chlorophenyl)propan-1-ol (PubChem CID 131144046) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is (3R)-3-amino-3-(2-amino-5-chlorophenyl)propan-1-ol.

Molecular Properties

Compound Name(3R)-3-amino-3-(2-amino-5-chlorophenyl)propan-1-ol
PubChem CID131144046
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name(3R)-3-amino-3-(2-amino-5-chlorophenyl)propan-1-ol
SMILESNc1ccc(Cl)cc1[C@H](N)CCO
InChIInChI=1S/C9H13ClN2O/c10-6-1-2-8(11)7(5-6)9(12)3-4-13/h1-2,5,9,13H,3-4,11-12H2/t9-/m1/s1
InChIKeyXERZHQYNGULVOI-SECBINFHSA-N
XLogP1.30
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 51.30
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

2-[(1S)-1-amino-4,4,4-trifluorobutyl]-4-chloroaniline;hydrochloride
CID 171233845
2-[(1S)-1-aminopent-4-enyl]-4-chloroaniline
CID 171233858
(3S)-3-amino-3-(4-chloro-2-methylphenyl)propan-1-ol
CID 131144923
2-[(1R)-1-amino-3,3-difluoropropyl]-4-chloroaniline
CID 171313952
(3R)-3-amino-3-(2-amino-3,5-dichlorophenyl)propan-1-ol
CID 130692934
2-[(1S)-1-amino-3-methylbut-3-enyl]-4-chloroaniline
CID 130997859
4-amino-3-[(1S)-1-amino-3-hydroxypropyl]benzonitrile
CID 130699567
(3R)-3-amino-3-(2-amino-5-chlorophenyl)propanenitrile
CID 130713953
2-[(1S)-1-amino-4-hydroxybutyl]-4-chlorophenol
CID 171217158
2-[(1R)-1-aminoethyl]-4-chloroaniline;hydrochloride
CID 171214203
(3R)-3-amino-3-(2-amino-5-chlorophenyl)propanenitrile;hydrochloride
CID 171260647
(4S)-4-amino-4-(2-bromo-5-chlorophenyl)butan-1-ol;hydrochloride
CID 171223329

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(2-amino-5-chlorophenyl)propan-1-ol?
The IUPAC name of (3R)-3-amino-3-(2-amino-5-chlorophenyl)propan-1-ol (CID 131144046) is (3R)-3-amino-3-(2-amino-5-chlorophenyl)propan-1-ol.
What is the SMILES notation for (3R)-3-amino-3-(2-amino-5-chlorophenyl)propan-1-ol?
The canonical SMILES for (3R)-3-amino-3-(2-amino-5-chlorophenyl)propan-1-ol is Nc1ccc(Cl)cc1[C@H](N)CCO.
What is the InChIKey of (3R)-3-amino-3-(2-amino-5-chlorophenyl)propan-1-ol?
The InChIKey is XERZHQYNGULVOI-SECBINFHSA-N. The full InChI is InChI=1S/C9H13ClN2O/c10-6-1-2-8(11)7(5-6)9(12)3-4-13/h1-2,5,9,13H,3-4,11-12H2/t9-/m1/s1.
What are the key properties of (3R)-3-amino-3-(2-amino-5-chlorophenyl)propan-1-ol?
(3R)-3-amino-3-(2-amino-5-chlorophenyl)propan-1-ol has a molecular weight of 200.67 g/mol, XLogP of 1.30, 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-(2-amino-5-chlorophenyl)propan-1-ol is sourced from PubChem (CID 131144046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).