3-[1-cyclohexyl-2-(methylamino)ethyl]phenol

C15H23NO — CID 105493594

IUPAC3-[1-cyclohexyl-2-(methylamino)ethyl]phenol
SMILESCNCC(c1cccc(O)c1)C1CCCCC1
InChIInChI=1S/C15H23NO/c1-16-11-15(12-6-3-2-4-7-12)13-8-5-9-14(17)10-13/h5,8-10,12,15-17H,2-4,6-7,11H2,1H3
InChIKeyRAXMVJSHNJTAAS-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.28
Rot. Bonds4

About 3-[1-cyclohexyl-2-(methylamino)ethyl]phenol

3-[1-cyclohexyl-2-(methylamino)ethyl]phenol (PubChem CID 105493594) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-[1-cyclohexyl-2-(methylamino)ethyl]phenol.

Molecular Properties

Compound Name3-[1-cyclohexyl-2-(methylamino)ethyl]phenol
PubChem CID105493594
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name3-[1-cyclohexyl-2-(methylamino)ethyl]phenol
SMILESCNCC(c1cccc(O)c1)C1CCCCC1
InChIInChI=1S/C15H23NO/c1-16-11-15(12-6-3-2-4-7-12)13-8-5-9-14(17)10-13/h5,8-10,12,15-17H,2-4,6-7,11H2,1H3
InChIKeyRAXMVJSHNJTAAS-UHFFFAOYSA-N
XLogP3.28
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cycloheptyl-N-methyl-2-phenylethanamine
CID 82934094
2-cyclopentyl-2-(3-methoxyphenyl)-N-methylethanamine
CID 79019406
3-[amino(cyclohexyl)methyl]phenol
CID 105457850
2-cycloheptyl-N-methyl-2-(4-methylphenyl)ethanamine
CID 82933613
3-[(1S)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride
CID 16745125
N-[2-cyclohexyl-2-(3-methylphenyl)ethyl]-2-methylpropan-1-amine
CID 79436985
3-[(1R)-1-deuterio-1-hydroxy-2-(methylamino)ethyl]phenol
CID 59348047
3-[(S)-amino(cyclobutyl)methyl]phenol;hydrochloride
CID 171218060
N-[2-cyclohexyl-2-(3-fluorophenyl)ethyl]-2-methylpropan-1-amine
CID 82932645
N-[2-cyclohexyl-2-(3-methoxyphenyl)ethyl]cyclopropanamine
CID 82937261
3-[(4R)-4-cyclobutylpentan-2-yl]phenol
CID 142796254
2-cyclohexyl-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 82936496

Frequently Asked Questions

What is the IUPAC name of 3-[1-cyclohexyl-2-(methylamino)ethyl]phenol?
The IUPAC name of 3-[1-cyclohexyl-2-(methylamino)ethyl]phenol (CID 105493594) is 3-[1-cyclohexyl-2-(methylamino)ethyl]phenol.
What is the SMILES notation for 3-[1-cyclohexyl-2-(methylamino)ethyl]phenol?
The canonical SMILES for 3-[1-cyclohexyl-2-(methylamino)ethyl]phenol is CNCC(c1cccc(O)c1)C1CCCCC1.
What is the InChIKey of 3-[1-cyclohexyl-2-(methylamino)ethyl]phenol?
The InChIKey is RAXMVJSHNJTAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-16-11-15(12-6-3-2-4-7-12)13-8-5-9-14(17)10-13/h5,8-10,12,15-17H,2-4,6-7,11H2,1H3.
What are the key properties of 3-[1-cyclohexyl-2-(methylamino)ethyl]phenol?
3-[1-cyclohexyl-2-(methylamino)ethyl]phenol has a molecular weight of 233.36 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-cyclohexyl-2-(methylamino)ethyl]phenol is sourced from PubChem (CID 105493594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).