2-[2-chloro-4-[(cyclopropylamino)methyl]-N-methylanilino]cyclohexan-1-ol

C17H25ClN2O — CID 102633000

IUPAC2-[2-chloro-4-[(cyclopropylamino)methyl]-N-methylanilino]cyclohexan-1-ol
SMILESCN(c1ccc(CNC2CC2)cc1Cl)C1CCCCC1O
InChIInChI=1S/C17H25ClN2O/c1-20(16-4-2-3-5-17(16)21)15-9-6-12(10-14(15)18)11-19-13-7-8-13/h6,9-10,13,16-17,19,21H,2-5,7-8,11H2,1H3
InChIKeyMBQNBRACQJHRQQ-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.33
Rot. Bonds5

About 2-[2-chloro-4-[(cyclopropylamino)methyl]-N-methylanilino]cyclohexan-1-ol

2-[2-chloro-4-[(cyclopropylamino)methyl]-N-methylanilino]cyclohexan-1-ol (PubChem CID 102633000) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 2-[2-chloro-4-[(cyclopropylamino)methyl]-N-methylanilino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[2-chloro-4-[(cyclopropylamino)methyl]-N-methylanilino]cyclohexan-1-ol
PubChem CID102633000
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name2-[2-chloro-4-[(cyclopropylamino)methyl]-N-methylanilino]cyclohexan-1-ol
SMILESCN(c1ccc(CNC2CC2)cc1Cl)C1CCCCC1O
InChIInChI=1S/C17H25ClN2O/c1-20(16-4-2-3-5-17(16)21)15-9-6-12(10-14(15)18)11-19-13-7-8-13/h6,9-10,13,16-17,19,21H,2-5,7-8,11H2,1H3
InChIKeyMBQNBRACQJHRQQ-UHFFFAOYSA-N
XLogP3.33
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-cyclopentyl-4-[(cyclopropylamino)methyl]-N-methylaniline
CID 81149552
2-chloro-N-(cyclopentylmethyl)-4-[(cyclopropylamino)methyl]-N-methylaniline
CID 81149052
2-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(3-methylcyclohexyl)aniline
CID 81147848
2-[4-(ethylaminomethyl)-N,2-dimethylanilino]cyclohexan-1-ol
CID 102633008
2-chloro-4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-N-methylaniline
CID 81148855
2-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 81149095
2-[2-chloro-4-[(cyclopropylamino)methyl]-N-methylanilino]-N-cyclopropylacetamide
CID 81143504
3-chloro-4-[(2-hydroxycyclohexyl)-methylamino]benzaldehyde
CID 102632644
2-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylbutyl)aniline
CID 81149641
2-[N,2-dimethyl-4-(propylaminomethyl)anilino]cyclohexan-1-ol
CID 102632987
N-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-N-methylcycloheptanamine
CID 63552456
3-chloro-N'-hydroxy-4-[(2-hydroxycyclohexyl)-methylamino]benzenecarboximidamide
CID 102632381

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[(cyclopropylamino)methyl]-N-methylanilino]cyclohexan-1-ol?
The IUPAC name of 2-[2-chloro-4-[(cyclopropylamino)methyl]-N-methylanilino]cyclohexan-1-ol (CID 102633000) is 2-[2-chloro-4-[(cyclopropylamino)methyl]-N-methylanilino]cyclohexan-1-ol.
What is the SMILES notation for 2-[2-chloro-4-[(cyclopropylamino)methyl]-N-methylanilino]cyclohexan-1-ol?
The canonical SMILES for 2-[2-chloro-4-[(cyclopropylamino)methyl]-N-methylanilino]cyclohexan-1-ol is CN(c1ccc(CNC2CC2)cc1Cl)C1CCCCC1O.
What is the InChIKey of 2-[2-chloro-4-[(cyclopropylamino)methyl]-N-methylanilino]cyclohexan-1-ol?
The InChIKey is MBQNBRACQJHRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-20(16-4-2-3-5-17(16)21)15-9-6-12(10-14(15)18)11-19-13-7-8-13/h6,9-10,13,16-17,19,21H,2-5,7-8,11H2,1H3.
What are the key properties of 2-[2-chloro-4-[(cyclopropylamino)methyl]-N-methylanilino]cyclohexan-1-ol?
2-[2-chloro-4-[(cyclopropylamino)methyl]-N-methylanilino]cyclohexan-1-ol has a molecular weight of 308.85 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[(cyclopropylamino)methyl]-N-methylanilino]cyclohexan-1-ol is sourced from PubChem (CID 102633000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).