N-(3,5-dimethylcyclohexyl)-2,5-dimethoxyaniline

C16H25NO2 — CID 64723792

IUPACN-(3,5-dimethylcyclohexyl)-2,5-dimethoxyaniline
SMILESCOc1ccc(OC)c(NC2CC(C)CC(C)C2)c1
InChIInChI=1S/C16H25NO2/c1-11-7-12(2)9-13(8-11)17-15-10-14(18-3)5-6-16(15)19-4/h5-6,10-13,17H,7-9H2,1-4H3
InChIKeyXIZJOSHCRODNMC-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.94
Rot. Bonds4

About N-(3,5-dimethylcyclohexyl)-2,5-dimethoxyaniline

N-(3,5-dimethylcyclohexyl)-2,5-dimethoxyaniline (PubChem CID 64723792) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(3,5-dimethylcyclohexyl)-2,5-dimethoxyaniline.

Molecular Properties

Compound NameN-(3,5-dimethylcyclohexyl)-2,5-dimethoxyaniline
PubChem CID64723792
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-(3,5-dimethylcyclohexyl)-2,5-dimethoxyaniline
SMILESCOc1ccc(OC)c(NC2CC(C)CC(C)C2)c1
InChIInChI=1S/C16H25NO2/c1-11-7-12(2)9-13(8-11)17-15-10-14(18-3)5-6-16(15)19-4/h5-6,10-13,17H,7-9H2,1-4H3
InChIKeyXIZJOSHCRODNMC-UHFFFAOYSA-N
XLogP3.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-methoxy-N-(3-methylcyclobutyl)aniline
CID 104860257
N-[3-[(3,5-dimethylcyclohexyl)amino]-4-methoxyphenyl]acetamide
CID 64752342
3-[(3,5-dimethylcyclohexyl)amino]-4-methoxybenzamide
CID 64750811
N-(3,5-dimethylcyclohexyl)-4-methoxy-2-(trifluoromethyl)aniline
CID 64752121
2-(difluoromethoxy)-5-methoxy-N-(3-propan-2-ylcyclobutyl)aniline
CID 103561268
1-N-[2-(difluoromethoxy)-5-methoxyphenyl]cyclobutane-1,3-diamine
CID 80559714
N-(2,5-dimethoxyphenyl)-1-ethylsulfonylpiperidin-4-amine
CID 3330886
2-chloro-5-methoxy-N-(3-methylcyclohexyl)aniline
CID 55193326
benzyl N-[3-(2,5-dimethoxyanilino)cyclobutyl]carbamate
CID 103392778
1-N-(2-methoxy-5-methylphenyl)cyclobutane-1,3-diamine
CID 80559082
2-fluoro-5-methoxy-N-(3-methoxycyclobutyl)aniline
CID 104870482
2-(chloromethyl)-1-(3,5-dimethylcyclohexyl)oxy-4-methoxybenzene
CID 64735146

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylcyclohexyl)-2,5-dimethoxyaniline?
The IUPAC name of N-(3,5-dimethylcyclohexyl)-2,5-dimethoxyaniline (CID 64723792) is N-(3,5-dimethylcyclohexyl)-2,5-dimethoxyaniline.
What is the SMILES notation for N-(3,5-dimethylcyclohexyl)-2,5-dimethoxyaniline?
The canonical SMILES for N-(3,5-dimethylcyclohexyl)-2,5-dimethoxyaniline is COc1ccc(OC)c(NC2CC(C)CC(C)C2)c1.
What is the InChIKey of N-(3,5-dimethylcyclohexyl)-2,5-dimethoxyaniline?
The InChIKey is XIZJOSHCRODNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11-7-12(2)9-13(8-11)17-15-10-14(18-3)5-6-16(15)19-4/h5-6,10-13,17H,7-9H2,1-4H3.
What are the key properties of N-(3,5-dimethylcyclohexyl)-2,5-dimethoxyaniline?
N-(3,5-dimethylcyclohexyl)-2,5-dimethoxyaniline has a molecular weight of 263.38 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylcyclohexyl)-2,5-dimethoxyaniline is sourced from PubChem (CID 64723792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).