1-(2-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanol

C14H20ClNO — CID 111118134

IUPAC1-(2-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanol
SMILESCCN(CC1CC1)CC(O)c1ccccc1Cl
InChIInChI=1S/C14H20ClNO/c1-2-16(9-11-7-8-11)10-14(17)12-5-3-4-6-13(12)15/h3-6,11,14,17H,2,7-10H2,1H3
InChIKeyRUVVHWXQHUPKRM-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.11
Rot. Bonds6

About 1-(2-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanol

1-(2-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanol (PubChem CID 111118134) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanol
PubChem CID111118134
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name1-(2-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanol
SMILESCCN(CC1CC1)CC(O)c1ccccc1Cl
InChIInChI=1S/C14H20ClNO/c1-2-16(9-11-7-8-11)10-14(17)12-5-3-4-6-13(12)15/h3-6,11,14,17H,2,7-10H2,1H3
InChIKeyRUVVHWXQHUPKRM-UHFFFAOYSA-N
XLogP3.11
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropylmethyl(ethyl)amino]-1-(2,4-difluorophenyl)ethanol
CID 111118143
1-(2-chlorophenyl)-N'-(cyclopropylmethyl)-N'-ethylpropane-1,3-diamine
CID 63939293
3-[[2-(2-chlorophenyl)-2-hydroxyethyl]-ethylamino]propanenitrile
CID 111634689
2-[bis(cyclopropylmethyl)amino]-1-(2-fluorophenyl)ethanol
CID 103670661
1-(4-aminophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanol
CID 63954700
2-[[2-(2-chlorophenyl)-2-hydroxyethyl]-methylamino]-1-cyclopropylethanol
CID 111858860
1-(2-chlorophenyl)-3-[cyclopropyl(cyclopropylmethyl)amino]propan-1-ol
CID 64520874
2-[cyclopropylmethyl(ethyl)amino]-1-(4-ethoxyphenyl)ethanol
CID 63954434
1-(2-chlorophenyl)-2-[methyl(oxan-4-yl)amino]ethanol
CID 111565238
1-(2-chlorophenyl)-2-[(4-ethylcyclohexyl)methylamino]ethanol
CID 60971864
1-(2-chlorophenyl)-2-(cyclopropylmethylamino)ethanol
CID 60903428
(1R)-2-[cyclopropylmethyl(propyl)amino]-1-phenylethanol
CID 2416449

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanol?
The IUPAC name of 1-(2-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanol (CID 111118134) is 1-(2-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanol.
What is the SMILES notation for 1-(2-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanol?
The canonical SMILES for 1-(2-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanol is CCN(CC1CC1)CC(O)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanol?
The InChIKey is RUVVHWXQHUPKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-2-16(9-11-7-8-11)10-14(17)12-5-3-4-6-13(12)15/h3-6,11,14,17H,2,7-10H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanol?
1-(2-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanol has a molecular weight of 253.77 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanol is sourced from PubChem (CID 111118134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).