2-[(1R)-1-amino-2-cyclopropylethyl]-6-chlorophenol;hydrochloride

C11H15Cl2NO — CID 171204746

IUPAC2-[(1R)-1-amino-2-cyclopropylethyl]-6-chlorophenol;hydrochloride
SMILESCl.N[C@H](CC1CC1)c1cccc(Cl)c1O
InChIInChI=1S/C11H14ClNO.ClH/c12-9-3-1-2-8(11(9)14)10(13)6-7-4-5-7;/h1-3,7,10,14H,4-6,13H2;1H/t10-;/m1./s1
InChIKeyNEVJTWDDLOQLMF-HNCPQSOCSA-N
MW248.15 g/mol
LogP3.27
Rot. Bonds3

About 2-[(1R)-1-amino-2-cyclopropylethyl]-6-chlorophenol;hydrochloride

2-[(1R)-1-amino-2-cyclopropylethyl]-6-chlorophenol;hydrochloride (PubChem CID 171204746) has the molecular formula C11H15Cl2NO and a molecular weight of 248.15 g/mol. Its IUPAC name is 2-[(1R)-1-amino-2-cyclopropylethyl]-6-chlorophenol;hydrochloride.

Molecular Properties

Compound Name2-[(1R)-1-amino-2-cyclopropylethyl]-6-chlorophenol;hydrochloride
PubChem CID171204746
Molecular FormulaC11H15Cl2NO
Molecular Weight248.15 g/mol
Exact Mass247.05
IUPAC Name2-[(1R)-1-amino-2-cyclopropylethyl]-6-chlorophenol;hydrochloride
SMILESCl.N[C@H](CC1CC1)c1cccc(Cl)c1O
InChIInChI=1S/C11H14ClNO.ClH/c12-9-3-1-2-8(11(9)14)10(13)6-7-4-5-7;/h1-3,7,10,14H,4-6,13H2;1H/t10-;/m1./s1
InChIKeyNEVJTWDDLOQLMF-HNCPQSOCSA-N
XLogP3.27
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

(1R)-2-cyclopropyl-1-(2,3-dichlorophenyl)ethanamine
CID 130971374
2-(1-amino-2-cyclopropylethyl)-6-fluorophenol
CID 55268848
2-[(1S)-1-amino-2-cyclopropylethyl]phenol;hydrochloride
CID 171220494
2-[(1S)-1-amino-2-cyclopropylethyl]-6-methoxyphenol;hydrochloride
CID 171231890
2-[(1S)-1-amino-2-cyclopropylethyl]-6-ethylphenol
CID 171253881
2-cyclopropyl-1-(2,6-dichlorophenyl)ethanamine
CID 112693518
2-[(1R)-1-amino-2-cyclopropylethyl]-6-ethoxyphenol
CID 171216016
2-[(1S,2R)-1-amino-2-cyclohexyl-2-hydroxyethyl]-6-chlorophenol;hydrochloride
CID 171268087
2-[(1R)-1-amino-2-cyclopropylethyl]-6-chloro-3-fluorophenol;hydrochloride
CID 171259217
2-[(1S)-1-amino-3-fluoropropyl]-6-chlorophenol
CID 131335401
2-[(1S,2R)-1-amino-2-cyclobutyl-2-hydroxyethyl]-6-chlorophenol
CID 171268082
3-[(1S)-1-amino-2-cyclopropylethyl]-2-ethylphenol
CID 165346025

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-amino-2-cyclopropylethyl]-6-chlorophenol;hydrochloride?
The IUPAC name of 2-[(1R)-1-amino-2-cyclopropylethyl]-6-chlorophenol;hydrochloride (CID 171204746) is 2-[(1R)-1-amino-2-cyclopropylethyl]-6-chlorophenol;hydrochloride.
What is the SMILES notation for 2-[(1R)-1-amino-2-cyclopropylethyl]-6-chlorophenol;hydrochloride?
The canonical SMILES for 2-[(1R)-1-amino-2-cyclopropylethyl]-6-chlorophenol;hydrochloride is Cl.N[C@H](CC1CC1)c1cccc(Cl)c1O.
What is the InChIKey of 2-[(1R)-1-amino-2-cyclopropylethyl]-6-chlorophenol;hydrochloride?
The InChIKey is NEVJTWDDLOQLMF-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H14ClNO.ClH/c12-9-3-1-2-8(11(9)14)10(13)6-7-4-5-7;/h1-3,7,10,14H,4-6,13H2;1H/t10-;/m1./s1.
What are the key properties of 2-[(1R)-1-amino-2-cyclopropylethyl]-6-chlorophenol;hydrochloride?
2-[(1R)-1-amino-2-cyclopropylethyl]-6-chlorophenol;hydrochloride has a molecular weight of 248.15 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-amino-2-cyclopropylethyl]-6-chlorophenol;hydrochloride is sourced from PubChem (CID 171204746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).