2-methyl-N-(4-methylcyclohexyl)-4-propan-2-yloxyaniline

C17H27NO — CID 55193112

IUPAC2-methyl-N-(4-methylcyclohexyl)-4-propan-2-yloxyaniline
SMILESCc1cc(OC(C)C)ccc1NC1CCC(C)CC1
InChIInChI=1S/C17H27NO/c1-12(2)19-16-9-10-17(14(4)11-16)18-15-7-5-13(3)6-8-15/h9-13,15,18H,5-8H2,1-4H3
InChIKeyFDRKTGXYABDICF-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.77
Rot. Bonds4

About 2-methyl-N-(4-methylcyclohexyl)-4-propan-2-yloxyaniline

2-methyl-N-(4-methylcyclohexyl)-4-propan-2-yloxyaniline (PubChem CID 55193112) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-methyl-N-(4-methylcyclohexyl)-4-propan-2-yloxyaniline.

Molecular Properties

Compound Name2-methyl-N-(4-methylcyclohexyl)-4-propan-2-yloxyaniline
PubChem CID55193112
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-methyl-N-(4-methylcyclohexyl)-4-propan-2-yloxyaniline
SMILESCc1cc(OC(C)C)ccc1NC1CCC(C)CC1
InChIInChI=1S/C17H27NO/c1-12(2)19-16-9-10-17(14(4)11-16)18-15-7-5-13(3)6-8-15/h9-13,15,18H,5-8H2,1-4H3
InChIKeyFDRKTGXYABDICF-UHFFFAOYSA-N
XLogP4.77
TPSA21.26 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 ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(2-methyl-4-propan-2-yloxyphenyl)-1-oxothian-4-amine
CID 54981487
4-ethyl-N-(2-methyl-4-propan-2-yloxyphenyl)cycloheptan-1-amine
CID 65083302
4-ethoxy-2-methyl-N-(4-methylcyclohexyl)aniline
CID 63451354
N-(2-methyl-4-propan-2-yloxyphenyl)thiolan-3-amine
CID 54865516
2,2-dimethyl-N-(2-methyl-4-propan-2-yloxyphenyl)-1,3-dioxan-5-amine
CID 106658628
N-(2-methyl-4-propan-2-yloxyphenyl)-1,1-dioxothian-3-amine
CID 63922032
N-(1-cyclopentylethyl)-2-methyl-4-propan-2-yloxyaniline
CID 63451061
N-(2-methyl-4-propan-2-yloxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853997
N-(2-methyl-4-propan-2-yloxyphenyl)bicyclo[2.2.1]heptan-2-amine
CID 63451149
4-ethoxy-2-methyl-N-(3-methylcyclopentyl)aniline
CID 64500477
N-cyclopentyl-4-methoxy-2-methylaniline
CID 62867512
N-cyclohexyl-4-methoxy-2-methylaniline
CID 62867173

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methylcyclohexyl)-4-propan-2-yloxyaniline?
The IUPAC name of 2-methyl-N-(4-methylcyclohexyl)-4-propan-2-yloxyaniline (CID 55193112) is 2-methyl-N-(4-methylcyclohexyl)-4-propan-2-yloxyaniline.
What is the SMILES notation for 2-methyl-N-(4-methylcyclohexyl)-4-propan-2-yloxyaniline?
The canonical SMILES for 2-methyl-N-(4-methylcyclohexyl)-4-propan-2-yloxyaniline is Cc1cc(OC(C)C)ccc1NC1CCC(C)CC1.
What is the InChIKey of 2-methyl-N-(4-methylcyclohexyl)-4-propan-2-yloxyaniline?
The InChIKey is FDRKTGXYABDICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-12(2)19-16-9-10-17(14(4)11-16)18-15-7-5-13(3)6-8-15/h9-13,15,18H,5-8H2,1-4H3.
What are the key properties of 2-methyl-N-(4-methylcyclohexyl)-4-propan-2-yloxyaniline?
2-methyl-N-(4-methylcyclohexyl)-4-propan-2-yloxyaniline has a molecular weight of 261.41 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methylcyclohexyl)-4-propan-2-yloxyaniline is sourced from PubChem (CID 55193112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).