1-[(benzylamino)methyl]-4-ethylcyclohexan-1-ol

C16H25NO — CID 62772640

IUPAC1-[(benzylamino)methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(CNCc2ccccc2)CC1
InChIInChI=1S/C16H25NO/c1-2-14-8-10-16(18,11-9-14)13-17-12-15-6-4-3-5-7-15/h3-7,14,17-18H,2,8-13H2,1H3
InChIKeyRYZUIACDBRAERC-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.11
Rot. Bonds5

About 1-[(benzylamino)methyl]-4-ethylcyclohexan-1-ol

1-[(benzylamino)methyl]-4-ethylcyclohexan-1-ol (PubChem CID 62772640) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-[(benzylamino)methyl]-4-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(benzylamino)methyl]-4-ethylcyclohexan-1-ol
PubChem CID62772640
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-[(benzylamino)methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(CNCc2ccccc2)CC1
InChIInChI=1S/C16H25NO/c1-2-14-8-10-16(18,11-9-14)13-17-12-15-6-4-3-5-7-15/h3-7,14,17-18H,2,8-13H2,1H3
InChIKeyRYZUIACDBRAERC-UHFFFAOYSA-N
XLogP3.11
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 65115940
1-[(benzylamino)methyl]cycloheptan-1-ol
CID 60710694
4-ethyl-1-[[(1-methylpyrrol-2-yl)methylamino]methyl]cyclohexan-1-ol
CID 65116465
1-[[(3-bromo-4-fluorophenyl)methylamino]methyl]-4-ethylcyclohexan-1-ol
CID 65116216
4-ethyl-1-(ethylaminomethyl)cyclohexan-1-ol
CID 62773711
4-ethyl-1-[[(3-phenylcyclobutyl)amino]methyl]cyclohexan-1-ol
CID 65116260
1-[[(5-bromo-3-pyridinyl)methylamino]methyl]-4-ethylcyclohexan-1-ol
CID 104796981
4-ethyl-1-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 65116509
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
CID 65124263
4-ethyl-1-[(2-pyridin-3-ylethylamino)methyl]cyclohexan-1-ol
CID 65118345
1-[[(4,5-dibromofuran-2-yl)methylamino]methyl]-4-ethylcyclohexan-1-ol
CID 65115953
1-[[(2-chloro-4-methylphenyl)methylamino]methyl]-4-ethylcyclohexan-1-ol
CID 106862776

Frequently Asked Questions

What is the IUPAC name of 1-[(benzylamino)methyl]-4-ethylcyclohexan-1-ol?
The IUPAC name of 1-[(benzylamino)methyl]-4-ethylcyclohexan-1-ol (CID 62772640) is 1-[(benzylamino)methyl]-4-ethylcyclohexan-1-ol.
What is the SMILES notation for 1-[(benzylamino)methyl]-4-ethylcyclohexan-1-ol?
The canonical SMILES for 1-[(benzylamino)methyl]-4-ethylcyclohexan-1-ol is CCC1CCC(O)(CNCc2ccccc2)CC1.
What is the InChIKey of 1-[(benzylamino)methyl]-4-ethylcyclohexan-1-ol?
The InChIKey is RYZUIACDBRAERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-2-14-8-10-16(18,11-9-14)13-17-12-15-6-4-3-5-7-15/h3-7,14,17-18H,2,8-13H2,1H3.
What are the key properties of 1-[(benzylamino)methyl]-4-ethylcyclohexan-1-ol?
1-[(benzylamino)methyl]-4-ethylcyclohexan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(benzylamino)methyl]-4-ethylcyclohexan-1-ol is sourced from PubChem (CID 62772640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).