1-[(2-amino-3-chloroanilino)methyl]-4-ethylcyclohexan-1-ol

C15H23ClN2O — CID 104834643

IUPAC1-[(2-amino-3-chloroanilino)methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(CNc2cccc(Cl)c2N)CC1
InChIInChI=1S/C15H23ClN2O/c1-2-11-6-8-15(19,9-7-11)10-18-13-5-3-4-12(16)14(13)17/h3-5,11,18-19H,2,6-10,17H2,1H3
InChIKeyWBFUQSJTVXJYGY-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.67
Rot. Bonds4

About 1-[(2-amino-3-chloroanilino)methyl]-4-ethylcyclohexan-1-ol

1-[(2-amino-3-chloroanilino)methyl]-4-ethylcyclohexan-1-ol (PubChem CID 104834643) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 1-[(2-amino-3-chloroanilino)methyl]-4-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2-amino-3-chloroanilino)methyl]-4-ethylcyclohexan-1-ol
PubChem CID104834643
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name1-[(2-amino-3-chloroanilino)methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(CNc2cccc(Cl)c2N)CC1
InChIInChI=1S/C15H23ClN2O/c1-2-11-6-8-15(19,9-7-11)10-18-13-5-3-4-12(16)14(13)17/h3-5,11,18-19H,2,6-10,17H2,1H3
InChIKeyWBFUQSJTVXJYGY-UHFFFAOYSA-N
XLogP3.67
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-amino-3-chloroanilino)methyl]cyclohexan-1-ol
CID 104834640
1-[(3-aminoanilino)methyl]-4-ethylcyclohexan-1-ol
CID 65116709
1-[[(6-amino-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 80648199
1-[(4-amino-2-iodoanilino)methyl]-4-ethylcyclohexan-1-ol
CID 66095013
1-[[(7-amino-2,1,3-benzoxadiazol-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 65116944
3-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 107097791
3-chloro-1-N-[[1-(dimethylamino)cyclopentyl]methyl]benzene-1,2-diamine
CID 104834814
2-(2-chlorophenyl)-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]acetamide
CID 65121812
1-[(4,6-diamino-3-chloro-2-fluoroanilino)methyl]-4-ethylcyclohexan-1-ol
CID 103553214
3-chloro-1-N-(cyclobutylmethyl)benzene-1,2-diamine
CID 104834099
3-chloro-1-N-[(4-methylcyclohexyl)methyl]benzene-1,2-diamine
CID 113458634
1-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 65122923

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-3-chloroanilino)methyl]-4-ethylcyclohexan-1-ol?
The IUPAC name of 1-[(2-amino-3-chloroanilino)methyl]-4-ethylcyclohexan-1-ol (CID 104834643) is 1-[(2-amino-3-chloroanilino)methyl]-4-ethylcyclohexan-1-ol.
What is the SMILES notation for 1-[(2-amino-3-chloroanilino)methyl]-4-ethylcyclohexan-1-ol?
The canonical SMILES for 1-[(2-amino-3-chloroanilino)methyl]-4-ethylcyclohexan-1-ol is CCC1CCC(O)(CNc2cccc(Cl)c2N)CC1.
What is the InChIKey of 1-[(2-amino-3-chloroanilino)methyl]-4-ethylcyclohexan-1-ol?
The InChIKey is WBFUQSJTVXJYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-2-11-6-8-15(19,9-7-11)10-18-13-5-3-4-12(16)14(13)17/h3-5,11,18-19H,2,6-10,17H2,1H3.
What are the key properties of 1-[(2-amino-3-chloroanilino)methyl]-4-ethylcyclohexan-1-ol?
1-[(2-amino-3-chloroanilino)methyl]-4-ethylcyclohexan-1-ol has a molecular weight of 282.81 g/mol, XLogP of 3.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-3-chloroanilino)methyl]-4-ethylcyclohexan-1-ol is sourced from PubChem (CID 104834643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).