1-[2-[(4-ethylcycloheptyl)amino]phenyl]ethanol

C17H27NO — CID 65083215

IUPAC1-[2-[(4-ethylcycloheptyl)amino]phenyl]ethanol
SMILESCCC1CCCC(Nc2ccccc2C(C)O)CC1
InChIInChI=1S/C17H27NO/c1-3-14-7-6-8-15(12-11-14)18-17-10-5-4-9-16(17)13(2)19/h4-5,9-10,13-15,18-19H,3,6-8,11-12H2,1-2H3
InChIKeyLVWGKWZCPDGFER-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.51
Rot. Bonds4

About 1-[2-[(4-ethylcycloheptyl)amino]phenyl]ethanol

1-[2-[(4-ethylcycloheptyl)amino]phenyl]ethanol (PubChem CID 65083215) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-[2-[(4-ethylcycloheptyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name1-[2-[(4-ethylcycloheptyl)amino]phenyl]ethanol
PubChem CID65083215
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-[2-[(4-ethylcycloheptyl)amino]phenyl]ethanol
SMILESCCC1CCCC(Nc2ccccc2C(C)O)CC1
InChIInChI=1S/C17H27NO/c1-3-14-7-6-8-15(12-11-14)18-17-10-5-4-9-16(17)13(2)19/h4-5,9-10,13-15,18-19H,3,6-8,11-12H2,1-2H3
InChIKeyLVWGKWZCPDGFER-UHFFFAOYSA-N
XLogP4.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-N-(2-ethylsulfanylphenyl)cycloheptan-1-amine
CID 65083155
4-ethyl-N-phenylcycloheptan-1-amine
CID 65082236
4-ethyl-N-(2-pyrrolidin-1-ylphenyl)cycloheptan-1-amine
CID 65084436
4-ethyl-N-[(1R)-1-(2-fluorophenyl)ethyl]cycloheptan-1-amine
CID 81380737
N-[(1R)-1-(2-bromophenyl)ethyl]-4-ethylcycloheptan-1-amine
CID 81383002
4-ethyl-N-(4-propan-2-ylphenyl)cycloheptan-1-amine
CID 65082802
1-[2-(cyclobutylamino)phenyl]-2,2,2-trifluoroethanol
CID 154337986
N-(4-ethylcycloheptyl)-1H-indazol-4-amine
CID 65083545
4-[(4-ethylcycloheptyl)amino]-2,5-dimethylphenol
CID 106953853
4-ethyl-N-(2-methyl-1-phenylpropyl)cycloheptan-1-amine
CID 65083894
4-ethyl-N-(2-methyl-4-propan-2-yloxyphenyl)cycloheptan-1-amine
CID 65083302
tert-butyl 4-[2-(1-hydroxyethyl)anilino]piperidine-1-carboxylate
CID 57248020

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-ethylcycloheptyl)amino]phenyl]ethanol?
The IUPAC name of 1-[2-[(4-ethylcycloheptyl)amino]phenyl]ethanol (CID 65083215) is 1-[2-[(4-ethylcycloheptyl)amino]phenyl]ethanol.
What is the SMILES notation for 1-[2-[(4-ethylcycloheptyl)amino]phenyl]ethanol?
The canonical SMILES for 1-[2-[(4-ethylcycloheptyl)amino]phenyl]ethanol is CCC1CCCC(Nc2ccccc2C(C)O)CC1.
What is the InChIKey of 1-[2-[(4-ethylcycloheptyl)amino]phenyl]ethanol?
The InChIKey is LVWGKWZCPDGFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-14-7-6-8-15(12-11-14)18-17-10-5-4-9-16(17)13(2)19/h4-5,9-10,13-15,18-19H,3,6-8,11-12H2,1-2H3.
What are the key properties of 1-[2-[(4-ethylcycloheptyl)amino]phenyl]ethanol?
1-[2-[(4-ethylcycloheptyl)amino]phenyl]ethanol has a molecular weight of 261.41 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-ethylcycloheptyl)amino]phenyl]ethanol is sourced from PubChem (CID 65083215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).