N-(3,4-dimethylcyclohexyl)-2-(2-methoxyethyl)aniline

C17H27NO — CID 102903864

IUPACN-(3,4-dimethylcyclohexyl)-2-(2-methoxyethyl)aniline
SMILESCOCCc1ccccc1NC1CCC(C)C(C)C1
InChIInChI=1S/C17H27NO/c1-13-8-9-16(12-14(13)2)18-17-7-5-4-6-15(17)10-11-19-3/h4-7,13-14,16,18H,8-12H2,1-3H3
InChIKeyOIEGTLCHWFOXOP-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.11
Rot. Bonds5

About N-(3,4-dimethylcyclohexyl)-2-(2-methoxyethyl)aniline

N-(3,4-dimethylcyclohexyl)-2-(2-methoxyethyl)aniline (PubChem CID 102903864) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-(3,4-dimethylcyclohexyl)-2-(2-methoxyethyl)aniline.

Molecular Properties

Compound NameN-(3,4-dimethylcyclohexyl)-2-(2-methoxyethyl)aniline
PubChem CID102903864
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-(3,4-dimethylcyclohexyl)-2-(2-methoxyethyl)aniline
SMILESCOCCc1ccccc1NC1CCC(C)C(C)C1
InChIInChI=1S/C17H27NO/c1-13-8-9-16(12-14(13)2)18-17-7-5-4-6-15(17)10-11-19-3/h4-7,13-14,16,18H,8-12H2,1-3H3
InChIKeyOIEGTLCHWFOXOP-UHFFFAOYSA-N
XLogP4.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclobutyl-2-(2-methoxyethyl)aniline
CID 102848928
N-(4-ethylcyclohexyl)-2-(2-methoxyethyl)aniline
CID 102903852
1-N-[2-(2-methoxyethyl)phenyl]cyclohexane-1,3-diamine
CID 102903718
2-(2-methoxyethyl)-N-[3-(trifluoromethyl)cyclohexyl]aniline
CID 102848912
N-[2-(2-methoxyethyl)phenyl]oxepan-4-amine
CID 102849048
N-(3,4-dimethylcyclohexyl)-2-(pyrazol-1-ylmethyl)aniline
CID 64732808
2-bromo-N-(3,4-dimethylcyclohexyl)aniline
CID 64731596
2-[2-(2-methoxyethyl)anilino]cyclopentan-1-ol
CID 102905089
2-[(3,4-dimethylcyclohexyl)amino]benzenesulfonamide
CID 64743862
N-(3,4-dimethylcyclohexyl)-2-ethoxypyridin-3-amine
CID 64734172
5-chloro-N-[2-(2-methoxyethyl)phenyl]-2,3-dihydro-1H-inden-2-amine
CID 102848942
2-(2-methoxyethyl)-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 102903890

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylcyclohexyl)-2-(2-methoxyethyl)aniline?
The IUPAC name of N-(3,4-dimethylcyclohexyl)-2-(2-methoxyethyl)aniline (CID 102903864) is N-(3,4-dimethylcyclohexyl)-2-(2-methoxyethyl)aniline.
What is the SMILES notation for N-(3,4-dimethylcyclohexyl)-2-(2-methoxyethyl)aniline?
The canonical SMILES for N-(3,4-dimethylcyclohexyl)-2-(2-methoxyethyl)aniline is COCCc1ccccc1NC1CCC(C)C(C)C1.
What is the InChIKey of N-(3,4-dimethylcyclohexyl)-2-(2-methoxyethyl)aniline?
The InChIKey is OIEGTLCHWFOXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13-8-9-16(12-14(13)2)18-17-7-5-4-6-15(17)10-11-19-3/h4-7,13-14,16,18H,8-12H2,1-3H3.
What are the key properties of N-(3,4-dimethylcyclohexyl)-2-(2-methoxyethyl)aniline?
N-(3,4-dimethylcyclohexyl)-2-(2-methoxyethyl)aniline has a molecular weight of 261.41 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylcyclohexyl)-2-(2-methoxyethyl)aniline is sourced from PubChem (CID 102903864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).