4-[(4-ethoxy-N-methylanilino)methyl]cyclohexan-1-ol

C16H25NO2 — CID 115239811

IUPAC4-[(4-ethoxy-N-methylanilino)methyl]cyclohexan-1-ol
SMILESCCOc1ccc(N(C)CC2CCC(O)CC2)cc1
InChIInChI=1S/C16H25NO2/c1-3-19-16-10-6-14(7-11-16)17(2)12-13-4-8-15(18)9-5-13/h6-7,10-11,13,15,18H,3-5,8-9,12H2,1-2H3
InChIKeyFWVBAUNLZVOHEL-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.07
Rot. Bonds5

About 4-[(4-ethoxy-N-methylanilino)methyl]cyclohexan-1-ol

4-[(4-ethoxy-N-methylanilino)methyl]cyclohexan-1-ol (PubChem CID 115239811) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-[(4-ethoxy-N-methylanilino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(4-ethoxy-N-methylanilino)methyl]cyclohexan-1-ol
PubChem CID115239811
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-[(4-ethoxy-N-methylanilino)methyl]cyclohexan-1-ol
SMILESCCOc1ccc(N(C)CC2CCC(O)CC2)cc1
InChIInChI=1S/C16H25NO2/c1-3-19-16-10-6-14(7-11-16)17(2)12-13-4-8-15(18)9-5-13/h6-7,10-11,13,15,18H,3-5,8-9,12H2,1-2H3
InChIKeyFWVBAUNLZVOHEL-UHFFFAOYSA-N
XLogP3.07
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopropylmethyl)-4-ethoxy-N-methylbenzenesulfonamide
CID 95748590
4-ethoxy-N,N-dimethylaniline
CID 3624890
[1-[(4-ethoxy-N-methylanilino)methyl]cyclopropyl]methanol
CID 115243346
4-ethoxy-N-methyl-N-[(1-methylpiperazin-2-yl)methyl]aniline
CID 115238316
2-[cyclopropylmethyl(ethyl)amino]-1-(4-ethoxyphenyl)ethanol
CID 63954434
(3R)-1-(4-ethoxyphenyl)pyrrolidin-3-ol
CID 95732309
methyl 2-(4-ethoxy-N-methylanilino)acetate
CID 115232761
N-(cyclopropylmethyl)-N,1-dimethylpyridin-1-ium-4-amine
CID 143948010
4-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-N-methylaniline
CID 63060237
N-(4-ethoxyphenyl)-N,4-dimethylaniline
CID 20575987
4-(4-ethoxy-3-fluoro-N-methylanilino)cyclohexan-1-ol
CID 115149430
4-ethoxy-N-ethyl-N-(oxiran-2-ylmethyl)aniline;methane
CID 160587423

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxy-N-methylanilino)methyl]cyclohexan-1-ol?
The IUPAC name of 4-[(4-ethoxy-N-methylanilino)methyl]cyclohexan-1-ol (CID 115239811) is 4-[(4-ethoxy-N-methylanilino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[(4-ethoxy-N-methylanilino)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[(4-ethoxy-N-methylanilino)methyl]cyclohexan-1-ol is CCOc1ccc(N(C)CC2CCC(O)CC2)cc1.
What is the InChIKey of 4-[(4-ethoxy-N-methylanilino)methyl]cyclohexan-1-ol?
The InChIKey is FWVBAUNLZVOHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-19-16-10-6-14(7-11-16)17(2)12-13-4-8-15(18)9-5-13/h6-7,10-11,13,15,18H,3-5,8-9,12H2,1-2H3.
What are the key properties of 4-[(4-ethoxy-N-methylanilino)methyl]cyclohexan-1-ol?
4-[(4-ethoxy-N-methylanilino)methyl]cyclohexan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethoxy-N-methylanilino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 115239811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).