N-cyclohexyl-4-methoxy-2-methylaniline

C14H21NO — CID 62867173

IUPACN-cyclohexyl-4-methoxy-2-methylaniline
SMILESCOc1ccc(NC2CCCCC2)c(C)c1
InChIInChI=1S/C14H21NO/c1-11-10-13(16-2)8-9-14(11)15-12-6-4-3-5-7-12/h8-10,12,15H,3-7H2,1-2H3
InChIKeyNUKOSEGEEOZTPF-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.75
Rot. Bonds3

About N-cyclohexyl-4-methoxy-2-methylaniline

N-cyclohexyl-4-methoxy-2-methylaniline (PubChem CID 62867173) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-cyclohexyl-4-methoxy-2-methylaniline.

Molecular Properties

Compound NameN-cyclohexyl-4-methoxy-2-methylaniline
PubChem CID62867173
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-cyclohexyl-4-methoxy-2-methylaniline
SMILESCOc1ccc(NC2CCCCC2)c(C)c1
InChIInChI=1S/C14H21NO/c1-11-10-13(16-2)8-9-14(11)15-12-6-4-3-5-7-12/h8-10,12,15H,3-7H2,1-2H3
InChIKeyNUKOSEGEEOZTPF-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.75
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-cyclopentyl-4-methoxy-2-methylaniline
CID 62867512
N-(3-cyclopropylcyclohexyl)-4-methoxy-2-methylaniline
CID 64624422
N-(4-methoxy-2-methylphenyl)-1-oxothian-4-amine
CID 62871144
N-(4-tert-butylcyclohexyl)-4-methoxy-2-methylaniline
CID 63477895
2-(cyclohexylamino)-5-methoxybenzoic acid
CID 82932893
N-cyclobutyl-2-methyl-4-propoxyaniline
CID 115884959
4-methoxy-2-methyl-N-(2-methylcyclopentyl)aniline
CID 65045492
N-(2-ethylcyclohexyl)-4-methoxy-2-methylaniline
CID 63862489
N-(2-methoxy-4-methylphenyl)cycloheptanamine
CID 54865924
N-(4-methoxy-2-methylphenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 62871140
N-(4-methoxyphenyl)cyclooctanamine
CID 29275692
methyl 4-(cyclopentylamino)-3-methylbenzoate
CID 43730521

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-methoxy-2-methylaniline?
The IUPAC name of N-cyclohexyl-4-methoxy-2-methylaniline (CID 62867173) is N-cyclohexyl-4-methoxy-2-methylaniline.
What is the SMILES notation for N-cyclohexyl-4-methoxy-2-methylaniline?
The canonical SMILES for N-cyclohexyl-4-methoxy-2-methylaniline is COc1ccc(NC2CCCCC2)c(C)c1.
What is the InChIKey of N-cyclohexyl-4-methoxy-2-methylaniline?
The InChIKey is NUKOSEGEEOZTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-10-13(16-2)8-9-14(11)15-12-6-4-3-5-7-12/h8-10,12,15H,3-7H2,1-2H3.
What are the key properties of N-cyclohexyl-4-methoxy-2-methylaniline?
N-cyclohexyl-4-methoxy-2-methylaniline has a molecular weight of 219.33 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-methoxy-2-methylaniline is sourced from PubChem (CID 62867173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).