2-[(4-chlorophenyl)methyl-methylamino]-1-cyclopropylethanol

C13H18ClNO — CID 111858655

IUPAC2-[(4-chlorophenyl)methyl-methylamino]-1-cyclopropylethanol
SMILESCN(Cc1ccc(Cl)cc1)CC(O)C1CC1
InChIInChI=1S/C13H18ClNO/c1-15(9-13(16)11-4-5-11)8-10-2-6-12(14)7-3-10/h2-3,6-7,11,13,16H,4-5,8-9H2,1H3
InChIKeyCSNWBIMLGALODC-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.54
Rot. Bonds5

About 2-[(4-chlorophenyl)methyl-methylamino]-1-cyclopropylethanol

2-[(4-chlorophenyl)methyl-methylamino]-1-cyclopropylethanol (PubChem CID 111858655) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-methylamino]-1-cyclopropylethanol.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-methylamino]-1-cyclopropylethanol
PubChem CID111858655
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name2-[(4-chlorophenyl)methyl-methylamino]-1-cyclopropylethanol
SMILESCN(Cc1ccc(Cl)cc1)CC(O)C1CC1
InChIInChI=1S/C13H18ClNO/c1-15(9-13(16)11-4-5-11)8-10-2-6-12(14)7-3-10/h2-3,6-7,11,13,16H,4-5,8-9H2,1H3
InChIKeyCSNWBIMLGALODC-UHFFFAOYSA-N
XLogP2.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(2-cyclopropyl-2-hydroxyethyl)-methylamino]methyl]benzamide
CID 111858640
1-cyclohexyl-2-[(4-fluorophenyl)methyl-methylamino]ethanol
CID 104752723
(2S)-1-N-[(4-chlorophenyl)methyl]-3-cyclopropyl-1-N-methylpropane-1,2-diamine
CID 112736503
1-cyclopropyl-2-[(3-fluorophenyl)methyl-methylamino]ethanol
CID 111858608
1-cyclopropyl-2-[(2,4-difluorophenyl)methyl-methylamino]ethanol
CID 111977227
[(4-chlorophenyl)methyl-methylamino]methanol
CID 115229095
1-cyclopropyl-2-[methyl(2-methylpropyl)amino]ethanol
CID 63906984
N-[(4-chlorophenyl)methyl]-N,N',2-trimethylpropane-1,3-diamine
CID 62411299
2-[[2-(2-chlorophenyl)-2-hydroxyethyl]-methylamino]-1-cyclopropylethanol
CID 111858860
N,N'-bis[(4-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 10472232
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-1-piperidin-4-ylethanol
CID 146043433
1-cyclopropyl-2-[methyl(2-phenylethyl)amino]ethanol
CID 65486700

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl-methylamino]-1-cyclopropylethanol?
The IUPAC name of 2-[(4-chlorophenyl)methyl-methylamino]-1-cyclopropylethanol (CID 111858655) is 2-[(4-chlorophenyl)methyl-methylamino]-1-cyclopropylethanol.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-methylamino]-1-cyclopropylethanol?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-methylamino]-1-cyclopropylethanol is CN(Cc1ccc(Cl)cc1)CC(O)C1CC1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-methylamino]-1-cyclopropylethanol?
The InChIKey is CSNWBIMLGALODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-15(9-13(16)11-4-5-11)8-10-2-6-12(14)7-3-10/h2-3,6-7,11,13,16H,4-5,8-9H2,1H3.
What are the key properties of 2-[(4-chlorophenyl)methyl-methylamino]-1-cyclopropylethanol?
2-[(4-chlorophenyl)methyl-methylamino]-1-cyclopropylethanol has a molecular weight of 239.75 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl-methylamino]-1-cyclopropylethanol is sourced from PubChem (CID 111858655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).