2-(3-chloro-4-fluorophenyl)-2-(cycloheptylamino)ethanol

C15H21ClFNO — CID 81165963

IUPAC2-(3-chloro-4-fluorophenyl)-2-(cycloheptylamino)ethanol
SMILESOCC(NC1CCCCCC1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H21ClFNO/c16-13-9-11(7-8-14(13)17)15(10-19)18-12-5-3-1-2-4-6-12/h7-9,12,15,18-19H,1-6,10H2
InChIKeyYWQJJPZCGDWVPV-UHFFFAOYSA-N
MW285.79 g/mol
LogP3.82
Rot. Bonds4

About 2-(3-chloro-4-fluorophenyl)-2-(cycloheptylamino)ethanol

2-(3-chloro-4-fluorophenyl)-2-(cycloheptylamino)ethanol (PubChem CID 81165963) has the molecular formula C15H21ClFNO and a molecular weight of 285.79 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-2-(cycloheptylamino)ethanol.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-2-(cycloheptylamino)ethanol
PubChem CID81165963
Molecular FormulaC15H21ClFNO
Molecular Weight285.79 g/mol
Exact Mass285.13
IUPAC Name2-(3-chloro-4-fluorophenyl)-2-(cycloheptylamino)ethanol
SMILESOCC(NC1CCCCCC1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H21ClFNO/c16-13-9-11(7-8-14(13)17)15(10-19)18-12-5-3-1-2-4-6-12/h7-9,12,15,18-19H,1-6,10H2
InChIKeyYWQJJPZCGDWVPV-UHFFFAOYSA-N
XLogP3.82
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.79
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-3-chlorophenyl)-2-(cyclopentylamino)ethanol
CID 114077187
(2R)-2-(3-chloro-4-fluorophenyl)-2-(hydroxyamino)ethanol
CID 130642918
2-(cycloheptylamino)-2-(3,4-dimethylphenyl)ethanol
CID 61055162
2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetic acid
CID 81146022
4-[1-(cyclopropylamino)-2-hydroxyethyl]-2-fluorophenol
CID 107693474
N-cycloheptyl-1-(3,4-dichlorophenyl)ethane-1,2-diamine
CID 65381340
4-[1-(cyclopentylamino)-2-hydroxyethyl]phenol
CID 61056997
2-(4-amino-3-chloro-5-fluorophenyl)-2-(cyclopropylamino)ethanol;hydrochloride
CID 141286037
methyl 2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetate
CID 81146135
2-(cyclopropylamino)-2-(3,5-dichlorophenyl)ethanol
CID 61056839
ethyl 2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetate
CID 81146254
1-(4-chloro-2-fluorophenyl)-N-cyclohexylethane-1,2-diamine
CID 114843249

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-2-(cycloheptylamino)ethanol?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-2-(cycloheptylamino)ethanol (CID 81165963) is 2-(3-chloro-4-fluorophenyl)-2-(cycloheptylamino)ethanol.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-2-(cycloheptylamino)ethanol?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-2-(cycloheptylamino)ethanol is OCC(NC1CCCCCC1)c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-2-(cycloheptylamino)ethanol?
The InChIKey is YWQJJPZCGDWVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFNO/c16-13-9-11(7-8-14(13)17)15(10-19)18-12-5-3-1-2-4-6-12/h7-9,12,15,18-19H,1-6,10H2.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-2-(cycloheptylamino)ethanol?
2-(3-chloro-4-fluorophenyl)-2-(cycloheptylamino)ethanol has a molecular weight of 285.79 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-2-(cycloheptylamino)ethanol is sourced from PubChem (CID 81165963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).