(1R)-2-amino-1-[2-(3-chloropropyl)phenyl]ethanol

C11H16ClNO — CID 54528476

IUPAC(1R)-2-amino-1-[2-(3-chloropropyl)phenyl]ethanol
SMILESNC[C@H](O)c1ccccc1CCCCl
InChIInChI=1S/C11H16ClNO/c12-7-3-5-9-4-1-2-6-10(9)11(14)8-13/h1-2,4,6,11,14H,3,5,7-8,13H2/t11-/m0/s1
InChIKeyYUUWCULPVKJXBB-NSHDSACASA-N
MW213.71 g/mol
LogP1.85
Rot. Bonds5

About (1R)-2-amino-1-[2-(3-chloropropyl)phenyl]ethanol

(1R)-2-amino-1-[2-(3-chloropropyl)phenyl]ethanol (PubChem CID 54528476) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is (1R)-2-amino-1-[2-(3-chloropropyl)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-2-amino-1-[2-(3-chloropropyl)phenyl]ethanol
PubChem CID54528476
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name(1R)-2-amino-1-[2-(3-chloropropyl)phenyl]ethanol
SMILESNC[C@H](O)c1ccccc1CCCCl
InChIInChI=1S/C11H16ClNO/c12-7-3-5-9-4-1-2-6-10(9)11(14)8-13/h1-2,4,6,11,14H,3,5,7-8,13H2/t11-/m0/s1
InChIKeyYUUWCULPVKJXBB-NSHDSACASA-N
XLogP1.85
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-amino-1-[2-(3-chloropropyl)phenyl]ethanol?
The IUPAC name of (1R)-2-amino-1-[2-(3-chloropropyl)phenyl]ethanol (CID 54528476) is (1R)-2-amino-1-[2-(3-chloropropyl)phenyl]ethanol.
What is the SMILES notation for (1R)-2-amino-1-[2-(3-chloropropyl)phenyl]ethanol?
The canonical SMILES for (1R)-2-amino-1-[2-(3-chloropropyl)phenyl]ethanol is NC[C@H](O)c1ccccc1CCCCl.
What is the InChIKey of (1R)-2-amino-1-[2-(3-chloropropyl)phenyl]ethanol?
The InChIKey is YUUWCULPVKJXBB-NSHDSACASA-N. The full InChI is InChI=1S/C11H16ClNO/c12-7-3-5-9-4-1-2-6-10(9)11(14)8-13/h1-2,4,6,11,14H,3,5,7-8,13H2/t11-/m0/s1.
What are the key properties of (1R)-2-amino-1-[2-(3-chloropropyl)phenyl]ethanol?
(1R)-2-amino-1-[2-(3-chloropropyl)phenyl]ethanol has a molecular weight of 213.71 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-amino-1-[2-(3-chloropropyl)phenyl]ethanol is sourced from PubChem (CID 54528476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).