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

C16H25NO2 — CID 81412551

IUPAC3-[1-[[1-(hydroxymethyl)cyclohexyl]methylamino]ethyl]phenol
SMILESCC(NCC1(CO)CCCCC1)c1cccc(O)c1
InChIInChI=1S/C16H25NO2/c1-13(14-6-5-7-15(19)10-14)17-11-16(12-18)8-3-2-4-9-16/h5-7,10,13,17-19H,2-4,8-9,11-12H2,1H3
InChIKeyKCSHHMLSVZUGEG-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.99
Rot. Bonds5

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

3-[1-[[1-(hydroxymethyl)cyclohexyl]methylamino]ethyl]phenol (PubChem CID 81412551) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-[1-[[1-(hydroxymethyl)cyclohexyl]methylamino]ethyl]phenol.

Molecular Properties

Compound Name3-[1-[[1-(hydroxymethyl)cyclohexyl]methylamino]ethyl]phenol
PubChem CID81412551
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-[1-[[1-(hydroxymethyl)cyclohexyl]methylamino]ethyl]phenol
SMILESCC(NCC1(CO)CCCCC1)c1cccc(O)c1
InChIInChI=1S/C16H25NO2/c1-13(14-6-5-7-15(19)10-14)17-11-16(12-18)8-3-2-4-9-16/h5-7,10,13,17-19H,2-4,8-9,11-12H2,1H3
InChIKeyKCSHHMLSVZUGEG-UHFFFAOYSA-N
XLogP2.99
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[[1-(3-nitrophenyl)ethylamino]methyl]cyclopentyl]methanol
CID 115358498
[1-[[1-(3,5-dimethylphenyl)ethylamino]methyl]cyclohexyl]methanol
CID 103965989
[1-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]cyclohexyl]methanol
CID 81419096
4-[1-[[1-(hydroxymethyl)cyclopropyl]methylamino]ethyl]phenol
CID 115454338
[1-[[1-(3-chloro-4-fluorophenyl)ethylamino]methyl]cyclopentyl]methanol
CID 115358450
[1-[[1-(4-propylphenyl)ethylamino]methyl]cyclohexyl]methanol
CID 103965966
[1-[[(2-methyl-1-phenylpropyl)amino]methyl]cyclopentyl]methanol
CID 115358847
3-[1-(cyclobutylmethylamino)ethyl]phenol
CID 43298395
[1-[[1-(2,3-difluorophenyl)ethylamino]methyl]cyclohexyl]methanol
CID 103924886
[1-[[1-(2-fluorophenyl)ethylamino]methyl]cyclohexyl]methanol
CID 81419006
[1-[[1-(2-chlorophenyl)ethylamino]methyl]cyclohexyl]methanol
CID 79985726
[1-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]cyclohexyl]methanol
CID 81419393

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[1-(hydroxymethyl)cyclohexyl]methylamino]ethyl]phenol?
The IUPAC name of 3-[1-[[1-(hydroxymethyl)cyclohexyl]methylamino]ethyl]phenol (CID 81412551) is 3-[1-[[1-(hydroxymethyl)cyclohexyl]methylamino]ethyl]phenol.
What is the SMILES notation for 3-[1-[[1-(hydroxymethyl)cyclohexyl]methylamino]ethyl]phenol?
The canonical SMILES for 3-[1-[[1-(hydroxymethyl)cyclohexyl]methylamino]ethyl]phenol is CC(NCC1(CO)CCCCC1)c1cccc(O)c1.
What is the InChIKey of 3-[1-[[1-(hydroxymethyl)cyclohexyl]methylamino]ethyl]phenol?
The InChIKey is KCSHHMLSVZUGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13(14-6-5-7-15(19)10-14)17-11-16(12-18)8-3-2-4-9-16/h5-7,10,13,17-19H,2-4,8-9,11-12H2,1H3.
What are the key properties of 3-[1-[[1-(hydroxymethyl)cyclohexyl]methylamino]ethyl]phenol?
3-[1-[[1-(hydroxymethyl)cyclohexyl]methylamino]ethyl]phenol has a molecular weight of 263.38 g/mol, XLogP of 2.99, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[1-(hydroxymethyl)cyclohexyl]methylamino]ethyl]phenol is sourced from PubChem (CID 81412551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).