4-[N-methyl-4-(2-methylpropyl)anilino]cyclohexan-1-ol

C17H27NO — CID 115149409

IUPAC4-[N-methyl-4-(2-methylpropyl)anilino]cyclohexan-1-ol
SMILESCC(C)Cc1ccc(N(C)C2CCC(O)CC2)cc1
InChIInChI=1S/C17H27NO/c1-13(2)12-14-4-6-15(7-5-14)18(3)16-8-10-17(19)11-9-16/h4-7,13,16-17,19H,8-12H2,1-3H3
InChIKeyRBLOPGAOKVABEB-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.62
Rot. Bonds4

About 4-[N-methyl-4-(2-methylpropyl)anilino]cyclohexan-1-ol

4-[N-methyl-4-(2-methylpropyl)anilino]cyclohexan-1-ol (PubChem CID 115149409) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-[N-methyl-4-(2-methylpropyl)anilino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[N-methyl-4-(2-methylpropyl)anilino]cyclohexan-1-ol
PubChem CID115149409
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name4-[N-methyl-4-(2-methylpropyl)anilino]cyclohexan-1-ol
SMILESCC(C)Cc1ccc(N(C)C2CCC(O)CC2)cc1
InChIInChI=1S/C17H27NO/c1-13(2)12-14-4-6-15(7-5-14)18(3)16-8-10-17(19)11-9-16/h4-7,13,16-17,19H,8-12H2,1-3H3
InChIKeyRBLOPGAOKVABEB-UHFFFAOYSA-N
XLogP3.62
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-(N,4-dimethylanilino)cyclohexan-1-ol
CID 114762541
3-[N-methyl-4-(2-methylpropyl)anilino]cyclobutane-1-carboxylic acid
CID 117042861
[N-methyl-4-(2-methylpropyl)anilino]methanol
CID 115228791
2-hydroxy-N-methyl-N-[4-(2-methylpropyl)phenyl]acetamide
CID 115139668
4-(2-methylpropyl)-N-[4-(2-methylpropyl)phenyl]-N-propan-2-ylaniline
CID 170058687
N-methyl-4-(2-methylpropyl)-N-(piperidin-4-ylmethyl)aniline
CID 115209862
4-[methyl(1H-pyrrol-3-yl)amino]cyclohexan-1-ol
CID 115149437
4-(bromomethyl)-N-methyl-N-(4-methylcyclohexyl)aniline
CID 107081309
N-methyl-N-[4-(2-methylpropyl)phenyl]carbamoyl chloride
CID 115194464
[3-[[N-methyl-4-(2-methylpropyl)anilino]methyl]oxetan-3-yl]methanol
CID 115248876
2-methyl-1-[N-methyl-4-(2-methylpropyl)anilino]propan-2-ol
CID 115136839
N-methyl-N-[4-(2-methylpropyl)phenyl]pyrrolidine-2-carboxamide
CID 115159200

Frequently Asked Questions

What is the IUPAC name of 4-[N-methyl-4-(2-methylpropyl)anilino]cyclohexan-1-ol?
The IUPAC name of 4-[N-methyl-4-(2-methylpropyl)anilino]cyclohexan-1-ol (CID 115149409) is 4-[N-methyl-4-(2-methylpropyl)anilino]cyclohexan-1-ol.
What is the SMILES notation for 4-[N-methyl-4-(2-methylpropyl)anilino]cyclohexan-1-ol?
The canonical SMILES for 4-[N-methyl-4-(2-methylpropyl)anilino]cyclohexan-1-ol is CC(C)Cc1ccc(N(C)C2CCC(O)CC2)cc1.
What is the InChIKey of 4-[N-methyl-4-(2-methylpropyl)anilino]cyclohexan-1-ol?
The InChIKey is RBLOPGAOKVABEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13(2)12-14-4-6-15(7-5-14)18(3)16-8-10-17(19)11-9-16/h4-7,13,16-17,19H,8-12H2,1-3H3.
What are the key properties of 4-[N-methyl-4-(2-methylpropyl)anilino]cyclohexan-1-ol?
4-[N-methyl-4-(2-methylpropyl)anilino]cyclohexan-1-ol has a molecular weight of 261.41 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[N-methyl-4-(2-methylpropyl)anilino]cyclohexan-1-ol is sourced from PubChem (CID 115149409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).