4-[2-[(4-tert-butylcyclohexyl)amino]ethyl]phenol

C18H29NO — CID 61239240

IUPAC4-[2-[(4-tert-butylcyclohexyl)amino]ethyl]phenol
SMILESCC(C)(C)C1CCC(NCCc2ccc(O)cc2)CC1
InChIInChI=1S/C18H29NO/c1-18(2,3)15-6-8-16(9-7-15)19-13-12-14-4-10-17(20)11-5-14/h4-5,10-11,15-16,19-20H,6-9,12-13H2,1-3H3
InChIKeyQFFINUAGJPMINE-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.13
Rot. Bonds4

About 4-[2-[(4-tert-butylcyclohexyl)amino]ethyl]phenol

4-[2-[(4-tert-butylcyclohexyl)amino]ethyl]phenol (PubChem CID 61239240) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 4-[2-[(4-tert-butylcyclohexyl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[(4-tert-butylcyclohexyl)amino]ethyl]phenol
PubChem CID61239240
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name4-[2-[(4-tert-butylcyclohexyl)amino]ethyl]phenol
SMILESCC(C)(C)C1CCC(NCCc2ccc(O)cc2)CC1
InChIInChI=1S/C18H29NO/c1-18(2,3)15-6-8-16(9-7-15)19-13-12-14-4-10-17(20)11-5-14/h4-5,10-11,15-16,19-20H,6-9,12-13H2,1-3H3
InChIKeyQFFINUAGJPMINE-UHFFFAOYSA-N
XLogP4.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(4-tert-butylcycloheptyl)amino]methyl]phenol
CID 114331493
4-[2-[(4-ethylcyclohexyl)amino]ethyl]phenol
CID 61238876
4-[2-(cyclooctylamino)ethyl]phenol
CID 61238875
4-[2-[(1-ethylpiperidin-4-yl)amino]ethyl]phenol
CID 61239241
4-[2-[(2-tert-butylcyclohexyl)amino]ethyl]phenol
CID 61236716
N-[2-(4-ethylphenyl)ethyl]cyclopropanamine
CID 62550255
4-tert-butyl-N-[2-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 78911515
tert-butyl 3-[2-(4-hydroxyphenyl)ethylamino]azetidine-1-carboxylate
CID 63302690
4-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethyl]phenol
CID 61238378
4-[2-[[(1S,2R)-2-hydroxycyclohexyl]amino]ethyl]phenol
CID 129394205
2-[4-[(4-tert-butylcyclohexyl)amino]phenyl]ethanol
CID 61237684
N-[2-[4-[[2-(dimethylamino)-2-methylpropoxy]methyl]phenyl]ethyl]cyclopropanamine
CID 105351121

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-tert-butylcyclohexyl)amino]ethyl]phenol?
The IUPAC name of 4-[2-[(4-tert-butylcyclohexyl)amino]ethyl]phenol (CID 61239240) is 4-[2-[(4-tert-butylcyclohexyl)amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[(4-tert-butylcyclohexyl)amino]ethyl]phenol?
The canonical SMILES for 4-[2-[(4-tert-butylcyclohexyl)amino]ethyl]phenol is CC(C)(C)C1CCC(NCCc2ccc(O)cc2)CC1.
What is the InChIKey of 4-[2-[(4-tert-butylcyclohexyl)amino]ethyl]phenol?
The InChIKey is QFFINUAGJPMINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-18(2,3)15-6-8-16(9-7-15)19-13-12-14-4-10-17(20)11-5-14/h4-5,10-11,15-16,19-20H,6-9,12-13H2,1-3H3.
What are the key properties of 4-[2-[(4-tert-butylcyclohexyl)amino]ethyl]phenol?
4-[2-[(4-tert-butylcyclohexyl)amino]ethyl]phenol has a molecular weight of 275.44 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-tert-butylcyclohexyl)amino]ethyl]phenol is sourced from PubChem (CID 61239240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).