3-[1-[(2-ethylcyclohexyl)amino]ethyl]phenol

C16H25NO — CID 43709481

IUPAC3-[1-[(2-ethylcyclohexyl)amino]ethyl]phenol
SMILESCCC1CCCCC1NC(C)c1cccc(O)c1
InChIInChI=1S/C16H25NO/c1-3-13-7-4-5-10-16(13)17-12(2)14-8-6-9-15(18)11-14/h6,8-9,11-13,16-18H,3-5,7,10H2,1-2H3
InChIKeyKCQQKCKUCKAILP-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.01
Rot. Bonds4

About 3-[1-[(2-ethylcyclohexyl)amino]ethyl]phenol

3-[1-[(2-ethylcyclohexyl)amino]ethyl]phenol (PubChem CID 43709481) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-[1-[(2-ethylcyclohexyl)amino]ethyl]phenol.

Molecular Properties

Compound Name3-[1-[(2-ethylcyclohexyl)amino]ethyl]phenol
PubChem CID43709481
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-[1-[(2-ethylcyclohexyl)amino]ethyl]phenol
SMILESCCC1CCCCC1NC(C)c1cccc(O)c1
InChIInChI=1S/C16H25NO/c1-3-13-7-4-5-10-16(13)17-12(2)14-8-6-9-15(18)11-14/h6,8-9,11-13,16-18H,3-5,7,10H2,1-2H3
InChIKeyKCQQKCKUCKAILP-UHFFFAOYSA-N
XLogP4.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclohexan-1-amine
CID 81364942
cis-(1S,2S)-2-ethyl-N-[(1S)-1-phenylethyl]cyclohexan-1-amine
CID 58193955
trans-(1S,2R)-2-ethyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine
CID 45095253
2-ethyl-N-[(1S)-1-pyridin-3-ylethyl]cyclohexan-1-amine
CID 81407298
2-ethyl-N-[(1R)-1-pyridin-3-ylethyl]cyclopentan-1-amine
CID 104865522
[2-[1-(3-methoxyphenyl)ethylamino]cyclohexyl]methanol
CID 103729783
3-[1-(cyclobutylmethylamino)ethyl]phenol
CID 43298395
cis-(1S,2S)-2-ethyl-N-[(1S)-1-phenylethyl]cyclohexan-1-amine;trans-ethyl (1S,2S)-2-[[(1S)-1-phenylethyl]amino]cyclohexane-1-carboxylate
CID 159534838
2-ethyl-N-[1-(2-fluorophenyl)ethyl]cyclohexan-1-amine
CID 43709448
2-(aminomethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclopentan-1-amine
CID 81364867
2-[4-[1-[(2-ethylcyclohexyl)amino]ethyl]phenoxy]acetonitrile
CID 43784266
3-[1-(thian-4-ylamino)ethyl]phenol
CID 43748609

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-ethylcyclohexyl)amino]ethyl]phenol?
The IUPAC name of 3-[1-[(2-ethylcyclohexyl)amino]ethyl]phenol (CID 43709481) is 3-[1-[(2-ethylcyclohexyl)amino]ethyl]phenol.
What is the SMILES notation for 3-[1-[(2-ethylcyclohexyl)amino]ethyl]phenol?
The canonical SMILES for 3-[1-[(2-ethylcyclohexyl)amino]ethyl]phenol is CCC1CCCCC1NC(C)c1cccc(O)c1.
What is the InChIKey of 3-[1-[(2-ethylcyclohexyl)amino]ethyl]phenol?
The InChIKey is KCQQKCKUCKAILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-13-7-4-5-10-16(13)17-12(2)14-8-6-9-15(18)11-14/h6,8-9,11-13,16-18H,3-5,7,10H2,1-2H3.
What are the key properties of 3-[1-[(2-ethylcyclohexyl)amino]ethyl]phenol?
3-[1-[(2-ethylcyclohexyl)amino]ethyl]phenol has a molecular weight of 247.38 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-ethylcyclohexyl)amino]ethyl]phenol is sourced from PubChem (CID 43709481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).