(1R)-1-[2-amino-4-(3-chloropropyl)phenyl]ethanol

C11H16ClNO — CID 67672985

IUPAC(1R)-1-[2-amino-4-(3-chloropropyl)phenyl]ethanol
SMILESC[C@@H](O)c1ccc(CCCCl)cc1N
InChIInChI=1S/C11H16ClNO/c1-8(14)10-5-4-9(3-2-6-12)7-11(10)13/h4-5,7-8,14H,2-3,6,13H2,1H3/t8-/m1/s1
InChIKeyIIEWEZFWJUTICF-MRVPVSSYSA-N
MW213.71 g/mol
LogP2.49
Rot. Bonds4

About (1R)-1-[2-amino-4-(3-chloropropyl)phenyl]ethanol

(1R)-1-[2-amino-4-(3-chloropropyl)phenyl]ethanol (PubChem CID 67672985) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is (1R)-1-[2-amino-4-(3-chloropropyl)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-amino-4-(3-chloropropyl)phenyl]ethanol
PubChem CID67672985
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name(1R)-1-[2-amino-4-(3-chloropropyl)phenyl]ethanol
SMILESC[C@@H](O)c1ccc(CCCCl)cc1N
InChIInChI=1S/C11H16ClNO/c1-8(14)10-5-4-9(3-2-6-12)7-11(10)13/h4-5,7-8,14H,2-3,6,13H2,1H3/t8-/m1/s1
InChIKeyIIEWEZFWJUTICF-MRVPVSSYSA-N
XLogP2.49
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-amino-4-propan-2-ylphenyl)propane-1-thiol
CID 130271394
5-(chloromethyl)-2-propan-2-ylaniline
CID 89209031
4-(3-chloropropyl)-2-(difluoromethyl)-1-methylbenzene
CID 134627557
4-(3-chloropropyl)aniline
CID 11805171
2-propan-2-yl-5-(2-propan-2-yloxyethyl)aniline
CID 176584221
2-[4-amino-2-(3-chloropropyl)phenyl]-2-hydroxyacetic acid
CID 118812332
2-amino-4-(3-chloropropyl)-6-methoxyphenol
CID 94776729
1-[4-(2-aminopropyl)-2-(1-hydroxyethyl)phenyl]ethanol
CID 21121270
1-[2-amino-4-(chloromethyl)phenyl]-1-bromopropan-2-one
CID 118849185
(1S)-1-(2-aminophenyl)ethanol
CID 12749796
1-(3-chloropropyl)-4-methylbenzene
CID 12932085
2-(chloromethyl)-4-(3-chloropropyl)-1-methylsulfanylbenzene
CID 131625677

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-amino-4-(3-chloropropyl)phenyl]ethanol?
The IUPAC name of (1R)-1-[2-amino-4-(3-chloropropyl)phenyl]ethanol (CID 67672985) is (1R)-1-[2-amino-4-(3-chloropropyl)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-amino-4-(3-chloropropyl)phenyl]ethanol?
The canonical SMILES for (1R)-1-[2-amino-4-(3-chloropropyl)phenyl]ethanol is C[C@@H](O)c1ccc(CCCCl)cc1N.
What is the InChIKey of (1R)-1-[2-amino-4-(3-chloropropyl)phenyl]ethanol?
The InChIKey is IIEWEZFWJUTICF-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-8(14)10-5-4-9(3-2-6-12)7-11(10)13/h4-5,7-8,14H,2-3,6,13H2,1H3/t8-/m1/s1.
What are the key properties of (1R)-1-[2-amino-4-(3-chloropropyl)phenyl]ethanol?
(1R)-1-[2-amino-4-(3-chloropropyl)phenyl]ethanol has a molecular weight of 213.71 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-amino-4-(3-chloropropyl)phenyl]ethanol is sourced from PubChem (CID 67672985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).