1-[2-amino-1-(4-ethenylphenyl)ethyl]cyclohexan-1-ol

C16H23NO — CID 89064934

IUPAC1-[2-amino-1-(4-ethenylphenyl)ethyl]cyclohexan-1-ol
SMILESC=Cc1ccc(C(CN)C2(O)CCCCC2)cc1
InChIInChI=1S/C16H23NO/c1-2-13-6-8-14(9-7-13)15(12-17)16(18)10-4-3-5-11-16/h2,6-9,15,18H,1,3-5,10-12,17H2
InChIKeyIHHWIGOLIVVJDI-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.07
Rot. Bonds4

About 1-[2-amino-1-(4-ethenylphenyl)ethyl]cyclohexan-1-ol

1-[2-amino-1-(4-ethenylphenyl)ethyl]cyclohexan-1-ol (PubChem CID 89064934) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-[2-amino-1-(4-ethenylphenyl)ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[2-amino-1-(4-ethenylphenyl)ethyl]cyclohexan-1-ol
PubChem CID89064934
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-[2-amino-1-(4-ethenylphenyl)ethyl]cyclohexan-1-ol
SMILESC=Cc1ccc(C(CN)C2(O)CCCCC2)cc1
InChIInChI=1S/C16H23NO/c1-2-13-6-8-14(9-7-13)15(12-17)16(18)10-4-3-5-11-16/h2,6-9,15,18H,1,3-5,10-12,17H2
InChIKeyIHHWIGOLIVVJDI-UHFFFAOYSA-N
XLogP3.07
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-amino-1-(1-hydroxycyclohexyl)ethyl]benzaldehyde
CID 59903172
4-[2-amino-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrochloride
CID 45038987
1-[2-amino-1-[4-(trideuteriomethoxy)phenyl]ethyl]cyclohexan-1-ol;1-[2-[bis(trideuteriomethyl)amino]-1-[4-(trideuteriomethoxy)phenyl]ethyl]cyclohexan-1-ol
CID 157063165
1-[1-(3-ethenylphenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol
CID 11232276
(1R,2R)-1,2-bis(4-ethenylphenyl)ethane-1,2-diol
CID 11747528
4-[1-(1-hydroxycyclohexyl)-4-methylpentyl]phenol
CID 143726784
[(2R)-2-(1-hydroxycyclohexyl)-2-(4-hydroxyphenyl)ethyl]-dimethylazanium chloride
CID 159281287
4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrate
CID 68605984
4-[(1S)-2-amino-1-[1-(hydroxymethyl)cyclobutyl]ethyl]phenol
CID 125454143
1-(4-hydroxy-1-phenylbutyl)cyclohexan-1-ol
CID 129084956
1-[2-amino-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;1-[1-(4-methoxyphenyl)-2-(methylamino)ethyl]cyclohexan-1-ol;hydrochloride
CID 159239397
[3-(1-hydroxycyclohexyl)-3-(4-methoxyphenyl)propyl]-methylazanium chloride
CID 162517103

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(4-ethenylphenyl)ethyl]cyclohexan-1-ol?
The IUPAC name of 1-[2-amino-1-(4-ethenylphenyl)ethyl]cyclohexan-1-ol (CID 89064934) is 1-[2-amino-1-(4-ethenylphenyl)ethyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[2-amino-1-(4-ethenylphenyl)ethyl]cyclohexan-1-ol?
The canonical SMILES for 1-[2-amino-1-(4-ethenylphenyl)ethyl]cyclohexan-1-ol is C=Cc1ccc(C(CN)C2(O)CCCCC2)cc1.
What is the InChIKey of 1-[2-amino-1-(4-ethenylphenyl)ethyl]cyclohexan-1-ol?
The InChIKey is IHHWIGOLIVVJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-2-13-6-8-14(9-7-13)15(12-17)16(18)10-4-3-5-11-16/h2,6-9,15,18H,1,3-5,10-12,17H2.
What are the key properties of 1-[2-amino-1-(4-ethenylphenyl)ethyl]cyclohexan-1-ol?
1-[2-amino-1-(4-ethenylphenyl)ethyl]cyclohexan-1-ol has a molecular weight of 245.37 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-(4-ethenylphenyl)ethyl]cyclohexan-1-ol is sourced from PubChem (CID 89064934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).