2-(cycloheptylamino)-2-(3,4-dimethylphenyl)ethanol

C17H27NO — CID 61055162

IUPAC2-(cycloheptylamino)-2-(3,4-dimethylphenyl)ethanol
SMILESCc1ccc(C(CO)NC2CCCCCC2)cc1C
InChIInChI=1S/C17H27NO/c1-13-9-10-15(11-14(13)2)17(12-19)18-16-7-5-3-4-6-8-16/h9-11,16-19H,3-8,12H2,1-2H3
InChIKeyPOVOIEPCEORZLN-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.65
Rot. Bonds4

About 2-(cycloheptylamino)-2-(3,4-dimethylphenyl)ethanol

2-(cycloheptylamino)-2-(3,4-dimethylphenyl)ethanol (PubChem CID 61055162) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-(cycloheptylamino)-2-(3,4-dimethylphenyl)ethanol.

Molecular Properties

Compound Name2-(cycloheptylamino)-2-(3,4-dimethylphenyl)ethanol
PubChem CID61055162
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-(cycloheptylamino)-2-(3,4-dimethylphenyl)ethanol
SMILESCc1ccc(C(CO)NC2CCCCCC2)cc1C
InChIInChI=1S/C17H27NO/c1-13-9-10-15(11-14(13)2)17(12-19)18-16-7-5-3-4-6-8-16/h9-11,16-19H,3-8,12H2,1-2H3
InChIKeyPOVOIEPCEORZLN-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cycloheptylamino)-2-(4-methoxy-3-methylphenyl)ethanol
CID 62132634
2-(cyclopentylamino)-2-(2,5-dimethylphenyl)ethanol
CID 54977603
4-[1-(cyclopentylamino)-2-hydroxyethyl]phenol
CID 61056997
2-(3-chloro-4-fluorophenyl)-2-(cycloheptylamino)ethanol
CID 81165963
4-[1-(cycloheptylamino)-2-hydroxyethyl]-2-ethoxyphenol
CID 61054148
2-(cyclohexylamino)-2-(3-ethoxyphenyl)ethanol
CID 61047485
2-(4-bromo-3-chlorophenyl)-2-(cyclopentylamino)ethanol
CID 114077187
(2R)-2-(3,4-dimethylphenyl)-2-(methylamino)ethanol
CID 93471271
2-(cyclohexylamino)-2-(3,4-dimethylphenyl)acetonitrile
CID 54894335
1-cyclohexyl-3-[(1S)-1-(3,4-dimethylphenyl)propyl]urea
CID 92689614
2-(cyclopropylamino)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 82289327
methyl 2-(cyclopentylamino)-2-(3,4-dimethylphenyl)acetate
CID 54894017

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylamino)-2-(3,4-dimethylphenyl)ethanol?
The IUPAC name of 2-(cycloheptylamino)-2-(3,4-dimethylphenyl)ethanol (CID 61055162) is 2-(cycloheptylamino)-2-(3,4-dimethylphenyl)ethanol.
What is the SMILES notation for 2-(cycloheptylamino)-2-(3,4-dimethylphenyl)ethanol?
The canonical SMILES for 2-(cycloheptylamino)-2-(3,4-dimethylphenyl)ethanol is Cc1ccc(C(CO)NC2CCCCCC2)cc1C.
What is the InChIKey of 2-(cycloheptylamino)-2-(3,4-dimethylphenyl)ethanol?
The InChIKey is POVOIEPCEORZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13-9-10-15(11-14(13)2)17(12-19)18-16-7-5-3-4-6-8-16/h9-11,16-19H,3-8,12H2,1-2H3.
What are the key properties of 2-(cycloheptylamino)-2-(3,4-dimethylphenyl)ethanol?
2-(cycloheptylamino)-2-(3,4-dimethylphenyl)ethanol has a molecular weight of 261.41 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylamino)-2-(3,4-dimethylphenyl)ethanol is sourced from PubChem (CID 61055162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).