1-[(3-aminoanilino)methyl]-4-ethylcyclohexan-1-ol

C15H24N2O — CID 65116709

IUPAC1-[(3-aminoanilino)methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(CNc2cccc(N)c2)CC1
InChIInChI=1S/C15H24N2O/c1-2-12-6-8-15(18,9-7-12)11-17-14-5-3-4-13(16)10-14/h3-5,10,12,17-18H,2,6-9,11,16H2,1H3
InChIKeyVJRPHQRGDLFFCP-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.01
Rot. Bonds4

About 1-[(3-aminoanilino)methyl]-4-ethylcyclohexan-1-ol

1-[(3-aminoanilino)methyl]-4-ethylcyclohexan-1-ol (PubChem CID 65116709) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[(3-aminoanilino)methyl]-4-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(3-aminoanilino)methyl]-4-ethylcyclohexan-1-ol
PubChem CID65116709
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-[(3-aminoanilino)methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(CNc2cccc(N)c2)CC1
InChIInChI=1S/C15H24N2O/c1-2-12-6-8-15(18,9-7-12)11-17-14-5-3-4-13(16)10-14/h3-5,10,12,17-18H,2,6-9,11,16H2,1H3
InChIKeyVJRPHQRGDLFFCP-UHFFFAOYSA-N
XLogP3.01
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-[(3-aminoanilino)methyl]-4-ethylcyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-amino-2-iodoanilino)methyl]-4-ethylcyclohexan-1-ol
CID 66095013
1-[[(6-amino-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 80648199
1-[(2-amino-3-chloroanilino)methyl]-4-ethylcyclohexan-1-ol
CID 104834643
1-(anilinomethyl)-4-propylcyclohexan-1-ol
CID 114999848
1-[[(5-bromo-3-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 113423565
1-[[(4-amino-1-methylpyrazol-3-yl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 103078617
4-ethyl-1-[[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 80930969
1-[[(2-aminopyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 80842262
5-amino-2-bromo-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
CID 65117743
1-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 66279334
[1-[(3-aminoanilino)methyl]cyclopropyl]methanol
CID 115454159
1-[(4,6-diamino-3-chloro-2-fluoroanilino)methyl]-4-ethylcyclohexan-1-ol
CID 103553214

Frequently Asked Questions

What is the IUPAC name of 1-[(3-aminoanilino)methyl]-4-ethylcyclohexan-1-ol?
The IUPAC name of 1-[(3-aminoanilino)methyl]-4-ethylcyclohexan-1-ol (CID 65116709) is 1-[(3-aminoanilino)methyl]-4-ethylcyclohexan-1-ol.
What is the SMILES notation for 1-[(3-aminoanilino)methyl]-4-ethylcyclohexan-1-ol?
The canonical SMILES for 1-[(3-aminoanilino)methyl]-4-ethylcyclohexan-1-ol is CCC1CCC(O)(CNc2cccc(N)c2)CC1.
What is the InChIKey of 1-[(3-aminoanilino)methyl]-4-ethylcyclohexan-1-ol?
The InChIKey is VJRPHQRGDLFFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-2-12-6-8-15(18,9-7-12)11-17-14-5-3-4-13(16)10-14/h3-5,10,12,17-18H,2,6-9,11,16H2,1H3.
What are the key properties of 1-[(3-aminoanilino)methyl]-4-ethylcyclohexan-1-ol?
1-[(3-aminoanilino)methyl]-4-ethylcyclohexan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 3.01, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-aminoanilino)methyl]-4-ethylcyclohexan-1-ol is sourced from PubChem (CID 65116709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).