N-(2,6-dimethylcyclohexyl)-2-(2-methoxyethoxy)-4-methylaniline

C18H29NO2 — CID 63453168

IUPACN-(2,6-dimethylcyclohexyl)-2-(2-methoxyethoxy)-4-methylaniline
SMILESCOCCOc1cc(C)ccc1NC1C(C)CCCC1C
InChIInChI=1S/C18H29NO2/c1-13-8-9-16(17(12-13)21-11-10-20-4)19-18-14(2)6-5-7-15(18)3/h8-9,12,14-15,18-19H,5-7,10-11H2,1-4H3
InChIKeyMEDSISGGHITNIZ-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.26
Rot. Bonds6

About N-(2,6-dimethylcyclohexyl)-2-(2-methoxyethoxy)-4-methylaniline

N-(2,6-dimethylcyclohexyl)-2-(2-methoxyethoxy)-4-methylaniline (PubChem CID 63453168) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-(2,6-dimethylcyclohexyl)-2-(2-methoxyethoxy)-4-methylaniline.

Molecular Properties

Compound NameN-(2,6-dimethylcyclohexyl)-2-(2-methoxyethoxy)-4-methylaniline
PubChem CID63453168
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-(2,6-dimethylcyclohexyl)-2-(2-methoxyethoxy)-4-methylaniline
SMILESCOCCOc1cc(C)ccc1NC1C(C)CCCC1C
InChIInChI=1S/C18H29NO2/c1-13-8-9-16(17(12-13)21-11-10-20-4)19-18-14(2)6-5-7-15(18)3/h8-9,12,14-15,18-19H,5-7,10-11H2,1-4H3
InChIKeyMEDSISGGHITNIZ-UHFFFAOYSA-N
XLogP4.26
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxyethoxy)-4-methylphenyl]cycloheptanamine
CID 60934945
4-methyl-N-(2-methylcyclopentyl)-2-propoxyaniline
CID 65045783
N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-methylthiolan-3-amine
CID 102671001
N-[2-(2-methoxyethoxy)-4-methylphenyl]oxolan-3-amine
CID 63335368
N-[2-(2-methoxyethoxy)-4-methylphenyl]-1,1-dioxothian-4-amine
CID 60934699
N-(1-cyclopentylethyl)-2-(2-methoxyethoxy)-4-methylaniline
CID 62633183
N-[2-(2-methoxyethoxy)-4-methylphenyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364385
2-[[2-(2-methoxyethoxy)-4-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975087
N-(1-cyclopropylpropan-2-yl)-2-(2-methoxyethoxy)-4-methylaniline
CID 115916601
N-[2-(2-methoxyethoxy)-4-methylphenyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 60936556
2-(2-methoxyethoxy)-4-methyl-N-prop-2-ynylaniline
CID 63951891
2-(cyclopropylmethylamino)-N-[2-(2-methoxyethoxy)-4-methylphenyl]acetamide;hydrochloride
CID 119726882

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylcyclohexyl)-2-(2-methoxyethoxy)-4-methylaniline?
The IUPAC name of N-(2,6-dimethylcyclohexyl)-2-(2-methoxyethoxy)-4-methylaniline (CID 63453168) is N-(2,6-dimethylcyclohexyl)-2-(2-methoxyethoxy)-4-methylaniline.
What is the SMILES notation for N-(2,6-dimethylcyclohexyl)-2-(2-methoxyethoxy)-4-methylaniline?
The canonical SMILES for N-(2,6-dimethylcyclohexyl)-2-(2-methoxyethoxy)-4-methylaniline is COCCOc1cc(C)ccc1NC1C(C)CCCC1C.
What is the InChIKey of N-(2,6-dimethylcyclohexyl)-2-(2-methoxyethoxy)-4-methylaniline?
The InChIKey is MEDSISGGHITNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-13-8-9-16(17(12-13)21-11-10-20-4)19-18-14(2)6-5-7-15(18)3/h8-9,12,14-15,18-19H,5-7,10-11H2,1-4H3.
What are the key properties of N-(2,6-dimethylcyclohexyl)-2-(2-methoxyethoxy)-4-methylaniline?
N-(2,6-dimethylcyclohexyl)-2-(2-methoxyethoxy)-4-methylaniline has a molecular weight of 291.44 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylcyclohexyl)-2-(2-methoxyethoxy)-4-methylaniline is sourced from PubChem (CID 63453168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).