1-(4-chlorophenyl)-2-(1-cyclopropylethylamino)ethanol

C13H18ClNO — CID 60909738

IUPAC1-(4-chlorophenyl)-2-(1-cyclopropylethylamino)ethanol
SMILESCC(NCC(O)c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C13H18ClNO/c1-9(10-2-3-10)15-8-13(16)11-4-6-12(14)7-5-11/h4-7,9-10,13,15-16H,2-3,8H2,1H3
InChIKeyLCQKZOQIAJFTPD-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.76
Rot. Bonds5

About 1-(4-chlorophenyl)-2-(1-cyclopropylethylamino)ethanol

1-(4-chlorophenyl)-2-(1-cyclopropylethylamino)ethanol (PubChem CID 60909738) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(1-cyclopropylethylamino)ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(1-cyclopropylethylamino)ethanol
PubChem CID60909738
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name1-(4-chlorophenyl)-2-(1-cyclopropylethylamino)ethanol
SMILESCC(NCC(O)c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C13H18ClNO/c1-9(10-2-3-10)15-8-13(16)11-4-6-12(14)7-5-11/h4-7,9-10,13,15-16H,2-3,8H2,1H3
InChIKeyLCQKZOQIAJFTPD-UHFFFAOYSA-N
XLogP2.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol
CID 42553219
2-[[(1S)-1-cyclopentylethyl]amino]-1-(4-fluorophenyl)ethanol
CID 81396302
2-[[(1S)-1-cyclopentylethyl]amino]-1-(3,4-difluorophenyl)ethanol
CID 81396113
2-(1-cyclobutylethylamino)-1-(3,4-difluorophenyl)ethanol
CID 113260051
2-[[(1R)-1-cyclohexylethyl]amino]-1-phenylethanol
CID 81386513
1-(3,4-difluorophenyl)-2-[1-(oxan-4-yl)ethylamino]ethanol
CID 103776795
2-(1-cyclopropylethylamino)-1-(3-methylphenyl)ethanol
CID 115894712
1-(4-chlorophenyl)-2-(3-methylpentan-2-ylamino)ethanol
CID 54949960
4-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]pentan-2-ol
CID 113376212
N-[(4-chlorophenyl)methyl]-1-cyclopropylethanamine
CID 43183248
1-(4-chlorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol
CID 78953095
2-[1-(4-chlorophenyl)ethylamino]-1-(4-fluorophenyl)ethanol
CID 60714730

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(1-cyclopropylethylamino)ethanol?
The IUPAC name of 1-(4-chlorophenyl)-2-(1-cyclopropylethylamino)ethanol (CID 60909738) is 1-(4-chlorophenyl)-2-(1-cyclopropylethylamino)ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(1-cyclopropylethylamino)ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-2-(1-cyclopropylethylamino)ethanol is CC(NCC(O)c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(1-cyclopropylethylamino)ethanol?
The InChIKey is LCQKZOQIAJFTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-9(10-2-3-10)15-8-13(16)11-4-6-12(14)7-5-11/h4-7,9-10,13,15-16H,2-3,8H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-(1-cyclopropylethylamino)ethanol?
1-(4-chlorophenyl)-2-(1-cyclopropylethylamino)ethanol has a molecular weight of 239.75 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(1-cyclopropylethylamino)ethanol is sourced from PubChem (CID 60909738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).