4-[1-(cycloheptylamino)-2-hydroxyethyl]-2-ethoxyphenol

C17H27NO3 — CID 61054148

IUPAC4-[1-(cycloheptylamino)-2-hydroxyethyl]-2-ethoxyphenol
SMILESCCOc1cc(C(CO)NC2CCCCCC2)ccc1O
InChIInChI=1S/C17H27NO3/c1-2-21-17-11-13(9-10-16(17)20)15(12-19)18-14-7-5-3-4-6-8-14/h9-11,14-15,18-20H,2-8,12H2,1H3
InChIKeySWNOBDXIBFLRCH-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.14
Rot. Bonds6

About 4-[1-(cycloheptylamino)-2-hydroxyethyl]-2-ethoxyphenol

4-[1-(cycloheptylamino)-2-hydroxyethyl]-2-ethoxyphenol (PubChem CID 61054148) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 4-[1-(cycloheptylamino)-2-hydroxyethyl]-2-ethoxyphenol.

Molecular Properties

Compound Name4-[1-(cycloheptylamino)-2-hydroxyethyl]-2-ethoxyphenol
PubChem CID61054148
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name4-[1-(cycloheptylamino)-2-hydroxyethyl]-2-ethoxyphenol
SMILESCCOc1cc(C(CO)NC2CCCCCC2)ccc1O
InChIInChI=1S/C17H27NO3/c1-2-21-17-11-13(9-10-16(17)20)15(12-19)18-14-7-5-3-4-6-8-14/h9-11,14-15,18-20H,2-8,12H2,1H3
InChIKeySWNOBDXIBFLRCH-UHFFFAOYSA-N
XLogP3.14
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclohexylamino)-2-(3-ethoxyphenyl)ethanol
CID 61047485
2-(cycloheptylamino)-2-(4-methoxy-3-methylphenyl)ethanol
CID 62132634
2-(cycloheptylamino)-2-(3,4-dimethylphenyl)ethanol
CID 61055162
4-[1-(cyclopentylamino)-2-hydroxyethyl]phenol
CID 61056997
2-(cycloheptylamino)-2-(2-methoxyphenyl)ethanol
CID 61055556
4-[1-(cyclopropylamino)-2-hydroxyethyl]-2-fluorophenol
CID 107693474
4-[(R)-amino(cyclopropyl)methyl]-2-ethoxyphenol
CID 171200844
2-(3-chloro-4-fluorophenyl)-2-(cycloheptylamino)ethanol
CID 81165963
4-[(S)-amino(cyclopropyl)methyl]-2-ethoxyphenol;hydrochloride
CID 171220383
2-(cyclopentylamino)-2-(2,4-dimethoxyphenyl)ethanol
CID 61056168
4-[[[(1R)-1-cycloheptylethyl]amino]methyl]-2-ethoxyphenol
CID 81390490
4-[(S)-cyclopentyl(piperazin-1-yl)methyl]-2-ethoxyphenol
CID 171274564

Frequently Asked Questions

What is the IUPAC name of 4-[1-(cycloheptylamino)-2-hydroxyethyl]-2-ethoxyphenol?
The IUPAC name of 4-[1-(cycloheptylamino)-2-hydroxyethyl]-2-ethoxyphenol (CID 61054148) is 4-[1-(cycloheptylamino)-2-hydroxyethyl]-2-ethoxyphenol.
What is the SMILES notation for 4-[1-(cycloheptylamino)-2-hydroxyethyl]-2-ethoxyphenol?
The canonical SMILES for 4-[1-(cycloheptylamino)-2-hydroxyethyl]-2-ethoxyphenol is CCOc1cc(C(CO)NC2CCCCCC2)ccc1O.
What is the InChIKey of 4-[1-(cycloheptylamino)-2-hydroxyethyl]-2-ethoxyphenol?
The InChIKey is SWNOBDXIBFLRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-2-21-17-11-13(9-10-16(17)20)15(12-19)18-14-7-5-3-4-6-8-14/h9-11,14-15,18-20H,2-8,12H2,1H3.
What are the key properties of 4-[1-(cycloheptylamino)-2-hydroxyethyl]-2-ethoxyphenol?
4-[1-(cycloheptylamino)-2-hydroxyethyl]-2-ethoxyphenol has a molecular weight of 293.41 g/mol, XLogP of 3.14, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(cycloheptylamino)-2-hydroxyethyl]-2-ethoxyphenol is sourced from PubChem (CID 61054148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).