1-(2-chlorophenyl)-2-(cyclopropylmethylamino)ethanol

C12H16ClNO — CID 60903428

IUPAC1-(2-chlorophenyl)-2-(cyclopropylmethylamino)ethanol
SMILESOC(CNCC1CC1)c1ccccc1Cl
InChIInChI=1S/C12H16ClNO/c13-11-4-2-1-3-10(11)12(15)8-14-7-9-5-6-9/h1-4,9,12,14-15H,5-8H2
InChIKeyKLLQPCPEVWAXHQ-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.37
Rot. Bonds5

About 1-(2-chlorophenyl)-2-(cyclopropylmethylamino)ethanol

1-(2-chlorophenyl)-2-(cyclopropylmethylamino)ethanol (PubChem CID 60903428) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-(cyclopropylmethylamino)ethanol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-(cyclopropylmethylamino)ethanol
PubChem CID60903428
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name1-(2-chlorophenyl)-2-(cyclopropylmethylamino)ethanol
SMILESOC(CNCC1CC1)c1ccccc1Cl
InChIInChI=1S/C12H16ClNO/c13-11-4-2-1-3-10(11)12(15)8-14-7-9-5-6-9/h1-4,9,12,14-15H,5-8H2
InChIKeyKLLQPCPEVWAXHQ-UHFFFAOYSA-N
XLogP2.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-2-[(4-ethylcyclohexyl)methylamino]ethanol
CID 60971864
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-(cyclopropylmethoxy)acetamide
CID 111450934
2-(cyclopentylmethylamino)-1-(2,5-dichlorophenyl)ethanol
CID 60900468
1-(2-chlorophenyl)-2-(hydroxyamino)ethanol
CID 82111679
1-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]-4-methylcyclohexan-1-ol
CID 65120546
1-(2-chlorophenyl)-2-[(2,6-dimethylpiperidin-1-yl)amino]ethanol
CID 83013771
1-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-2-ol
CID 65106313
1-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]cyclopentan-1-ol
CID 65108572
1-(2-chlorophenyl)-2-(octylamino)ethanol
CID 115567759
2-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-(cyclopropylmethyl)-3-ethylguanidine;hydroiodide
CID 111998580
3-amino-N-[2-(2-chlorophenyl)-2-hydroxyethyl]cyclopentane-1-carboxamide
CID 154759854
1-(2-chlorophenyl)-2-[(1-methylpiperidin-4-yl)amino]ethanol
CID 60910522

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-(cyclopropylmethylamino)ethanol?
The IUPAC name of 1-(2-chlorophenyl)-2-(cyclopropylmethylamino)ethanol (CID 60903428) is 1-(2-chlorophenyl)-2-(cyclopropylmethylamino)ethanol.
What is the SMILES notation for 1-(2-chlorophenyl)-2-(cyclopropylmethylamino)ethanol?
The canonical SMILES for 1-(2-chlorophenyl)-2-(cyclopropylmethylamino)ethanol is OC(CNCC1CC1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-(cyclopropylmethylamino)ethanol?
The InChIKey is KLLQPCPEVWAXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c13-11-4-2-1-3-10(11)12(15)8-14-7-9-5-6-9/h1-4,9,12,14-15H,5-8H2.
What are the key properties of 1-(2-chlorophenyl)-2-(cyclopropylmethylamino)ethanol?
1-(2-chlorophenyl)-2-(cyclopropylmethylamino)ethanol has a molecular weight of 225.72 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-(cyclopropylmethylamino)ethanol is sourced from PubChem (CID 60903428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).