(1R,2S)-1-amino-1-(2-chloro-6-ethylphenyl)propan-2-ol

C11H16ClNO — CID 130692242

IUPAC(1R,2S)-1-amino-1-(2-chloro-6-ethylphenyl)propan-2-ol
SMILESCCc1cccc(Cl)c1[C@@H](N)[C@H](C)O
InChIInChI=1S/C11H16ClNO/c1-3-8-5-4-6-9(12)10(8)11(13)7(2)14/h4-7,11,14H,3,13H2,1-2H3/t7-,11-/m0/s1
InChIKeyLNVFOETWLSZCDZ-CPCISQLKSA-N
MW213.71 g/mol
LogP2.28
Rot. Bonds3

About (1R,2S)-1-amino-1-(2-chloro-6-ethylphenyl)propan-2-ol

(1R,2S)-1-amino-1-(2-chloro-6-ethylphenyl)propan-2-ol (PubChem CID 130692242) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-(2-chloro-6-ethylphenyl)propan-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-(2-chloro-6-ethylphenyl)propan-2-ol
PubChem CID130692242
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name(1R,2S)-1-amino-1-(2-chloro-6-ethylphenyl)propan-2-ol
SMILESCCc1cccc(Cl)c1[C@@H](N)[C@H](C)O
InChIInChI=1S/C11H16ClNO/c1-3-8-5-4-6-9(12)10(8)11(13)7(2)14/h4-7,11,14H,3,13H2,1-2H3/t7-,11-/m0/s1
InChIKeyLNVFOETWLSZCDZ-CPCISQLKSA-N
XLogP2.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-1-(2-chloro-6-methylphenyl)propan-2-ol
CID 55270715
(1R,2S)-1-amino-1-(2-chloro-6-fluorophenyl)propan-2-ol;hydrochloride
CID 171160070
(1S)-1-(2,6-dichlorophenyl)-2-methylbutan-1-amine;hydrochloride
CID 171217454
1-amino-1-[2-(hydroxymethyl)-6-methylphenyl]propan-2-ol
CID 130041488
(2-chloro-6-ethylphenyl)-(1H-imidazol-5-yl)methanol
CID 58951912
(1R)-1-amino-1-(2-amino-3-chlorophenyl)propan-2-ol
CID 130643010
(1R,2R)-1-(2,6-dichlorophenyl)-2-hydroxypropan-1-olate
CID 144705772
2-[(2-chloro-6-ethylphenyl)-hydroxymethyl]cyclopent-2-en-1-one
CID 173142078
2-[(2R)-2-aminopropyl]-6-chlorobenzoic acid
CID 131123294
(1S,2R)-1-amino-1-(2,6-dichloro-3-fluorophenyl)propan-2-ol
CID 130618254
bis(1,3-diethyl-2-propan-2-ylbenzene);bis(2-methylpropane)
CID 159950653
(2R)-2-amino-N-[2-(2,6-dichlorophenyl)propyl]propanamide;hydrochloride
CID 119315009

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-(2-chloro-6-ethylphenyl)propan-2-ol?
The IUPAC name of (1R,2S)-1-amino-1-(2-chloro-6-ethylphenyl)propan-2-ol (CID 130692242) is (1R,2S)-1-amino-1-(2-chloro-6-ethylphenyl)propan-2-ol.
What is the SMILES notation for (1R,2S)-1-amino-1-(2-chloro-6-ethylphenyl)propan-2-ol?
The canonical SMILES for (1R,2S)-1-amino-1-(2-chloro-6-ethylphenyl)propan-2-ol is CCc1cccc(Cl)c1[C@@H](N)[C@H](C)O.
What is the InChIKey of (1R,2S)-1-amino-1-(2-chloro-6-ethylphenyl)propan-2-ol?
The InChIKey is LNVFOETWLSZCDZ-CPCISQLKSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-3-8-5-4-6-9(12)10(8)11(13)7(2)14/h4-7,11,14H,3,13H2,1-2H3/t7-,11-/m0/s1.
What are the key properties of (1R,2S)-1-amino-1-(2-chloro-6-ethylphenyl)propan-2-ol?
(1R,2S)-1-amino-1-(2-chloro-6-ethylphenyl)propan-2-ol has a molecular weight of 213.71 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-amino-1-(2-chloro-6-ethylphenyl)propan-2-ol is sourced from PubChem (CID 130692242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).