1-(5-chloro-4-ethoxy-2-methylphenyl)-2-(cyclopropylamino)ethanol

C14H20ClNO2 — CID 112512972

IUPAC1-(5-chloro-4-ethoxy-2-methylphenyl)-2-(cyclopropylamino)ethanol
SMILESCCOc1cc(C)c(C(O)CNC2CC2)cc1Cl
InChIInChI=1S/C14H20ClNO2/c1-3-18-14-6-9(2)11(7-12(14)15)13(17)8-16-10-4-5-10/h6-7,10,13,16-17H,3-5,8H2,1-2H3
InChIKeyFDPPRDFAAQQFGW-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.83
Rot. Bonds6

About 1-(5-chloro-4-ethoxy-2-methylphenyl)-2-(cyclopropylamino)ethanol

1-(5-chloro-4-ethoxy-2-methylphenyl)-2-(cyclopropylamino)ethanol (PubChem CID 112512972) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 1-(5-chloro-4-ethoxy-2-methylphenyl)-2-(cyclopropylamino)ethanol.

Molecular Properties

Compound Name1-(5-chloro-4-ethoxy-2-methylphenyl)-2-(cyclopropylamino)ethanol
PubChem CID112512972
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name1-(5-chloro-4-ethoxy-2-methylphenyl)-2-(cyclopropylamino)ethanol
SMILESCCOc1cc(C)c(C(O)CNC2CC2)cc1Cl
InChIInChI=1S/C14H20ClNO2/c1-3-18-14-6-9(2)11(7-12(14)15)13(17)8-16-10-4-5-10/h6-7,10,13,16-17H,3-5,8H2,1-2H3
InChIKeyFDPPRDFAAQQFGW-UHFFFAOYSA-N
XLogP2.83
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-1-(2,4-dimethylphenyl)ethanol
CID 45096959
cyclobutyl-(4-ethoxy-2,5-dimethylphenyl)methanol
CID 82049139
1-(4-ethoxy-2,5-dimethylphenyl)-2-(propan-2-ylamino)ethanol
CID 112510507
5-chloro-4-ethoxy-2-methylphenol
CID 82490779
N'-cyclopropyl-1-(4-ethoxy-3-methylphenyl)ethane-1,2-diamine
CID 116935183
1-(5-chloro-4-ethoxy-2-methylphenyl)-2,2,2-trifluoroethanamine
CID 82304919
2-(cyclohexylamino)-1-(2-methoxy-3,5-dimethylphenyl)ethanol
CID 82315590
1-(4-chloro-2,5-diethoxyphenyl)propan-1-ol
CID 82268035
1-(4-ethoxy-2,5-dimethylphenyl)ethane-1,2-diol
CID 82284052
1,4-dichloro-2-ethoxy-5-methylbenzene
CID 18335146
1-(5-chloro-4-methoxy-2-methylphenyl)-2-sulfanylethanol
CID 116829994
2-(cyclopentylamino)-1-(2,3,5,6-tetramethylphenyl)ethanol
CID 82121821

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-4-ethoxy-2-methylphenyl)-2-(cyclopropylamino)ethanol?
The IUPAC name of 1-(5-chloro-4-ethoxy-2-methylphenyl)-2-(cyclopropylamino)ethanol (CID 112512972) is 1-(5-chloro-4-ethoxy-2-methylphenyl)-2-(cyclopropylamino)ethanol.
What is the SMILES notation for 1-(5-chloro-4-ethoxy-2-methylphenyl)-2-(cyclopropylamino)ethanol?
The canonical SMILES for 1-(5-chloro-4-ethoxy-2-methylphenyl)-2-(cyclopropylamino)ethanol is CCOc1cc(C)c(C(O)CNC2CC2)cc1Cl.
What is the InChIKey of 1-(5-chloro-4-ethoxy-2-methylphenyl)-2-(cyclopropylamino)ethanol?
The InChIKey is FDPPRDFAAQQFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-3-18-14-6-9(2)11(7-12(14)15)13(17)8-16-10-4-5-10/h6-7,10,13,16-17H,3-5,8H2,1-2H3.
What are the key properties of 1-(5-chloro-4-ethoxy-2-methylphenyl)-2-(cyclopropylamino)ethanol?
1-(5-chloro-4-ethoxy-2-methylphenyl)-2-(cyclopropylamino)ethanol has a molecular weight of 269.77 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-4-ethoxy-2-methylphenyl)-2-(cyclopropylamino)ethanol is sourced from PubChem (CID 112512972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).