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

C18H29NO — CID 61236716

IUPAC4-[2-[(2-tert-butylcyclohexyl)amino]ethyl]phenol
SMILESCC(C)(C)C1CCCCC1NCCc1ccc(O)cc1
InChIInChI=1S/C18H29NO/c1-18(2,3)16-6-4-5-7-17(16)19-13-12-14-8-10-15(20)11-9-14/h8-11,16-17,19-20H,4-7,12-13H2,1-3H3
InChIKeyRPHLYHBLQRTWTG-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.13
Rot. Bonds4

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

4-[2-[(2-tert-butylcyclohexyl)amino]ethyl]phenol (PubChem CID 61236716) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 4-[2-[(2-tert-butylcyclohexyl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[(2-tert-butylcyclohexyl)amino]ethyl]phenol
PubChem CID61236716
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name4-[2-[(2-tert-butylcyclohexyl)amino]ethyl]phenol
SMILESCC(C)(C)C1CCCCC1NCCc1ccc(O)cc1
InChIInChI=1S/C18H29NO/c1-18(2,3)16-6-4-5-7-17(16)19-13-12-14-8-10-15(20)11-9-14/h8-11,16-17,19-20H,4-7,12-13H2,1-3H3
InChIKeyRPHLYHBLQRTWTG-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-[2-[[(1S,2R)-2-hydroxycyclohexyl]amino]ethyl]phenol
CID 129394205
2-tert-butyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine
CID 60894469
4-[2-[(4-tert-butylcyclohexyl)amino]ethyl]phenol
CID 61239240
4-[2-(cyclooctylamino)ethyl]phenol
CID 61238875
2-[(2-tert-butylcyclohexyl)amino]ethanol
CID 43085233
2-tert-butyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
CID 104694927
2-[(2-tert-butylcyclohexyl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 56570123
3-[[(2-tert-butylcyclohexyl)amino]methyl]phenol
CID 43673906
4-[2-[(2-piperidin-2-ylcyclopentyl)amino]ethyl]phenol
CID 79536288
4-[2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenol
CID 82853823
cis-(1R,2R)-2-tert-butyl-N-(3-methoxypropyl)cyclohexan-1-amine
CID 28673271
2-tert-butyl-N-octylcyclohexan-1-amine
CID 60663873

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-tert-butylcyclohexyl)amino]ethyl]phenol?
The IUPAC name of 4-[2-[(2-tert-butylcyclohexyl)amino]ethyl]phenol (CID 61236716) is 4-[2-[(2-tert-butylcyclohexyl)amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[(2-tert-butylcyclohexyl)amino]ethyl]phenol?
The canonical SMILES for 4-[2-[(2-tert-butylcyclohexyl)amino]ethyl]phenol is CC(C)(C)C1CCCCC1NCCc1ccc(O)cc1.
What is the InChIKey of 4-[2-[(2-tert-butylcyclohexyl)amino]ethyl]phenol?
The InChIKey is RPHLYHBLQRTWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-18(2,3)16-6-4-5-7-17(16)19-13-12-14-8-10-15(20)11-9-14/h8-11,16-17,19-20H,4-7,12-13H2,1-3H3.
What are the key properties of 4-[2-[(2-tert-butylcyclohexyl)amino]ethyl]phenol?
4-[2-[(2-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-[(2-tert-butylcyclohexyl)amino]ethyl]phenol is sourced from PubChem (CID 61236716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).