N-(3-methoxycyclohexyl)-2-propan-2-yloxyaniline

C16H25NO2 — CID 106871886

IUPACN-(3-methoxycyclohexyl)-2-propan-2-yloxyaniline
SMILESCOC1CCCC(Nc2ccccc2OC(C)C)C1
InChIInChI=1S/C16H25NO2/c1-12(2)19-16-10-5-4-9-15(16)17-13-7-6-8-14(11-13)18-3/h4-5,9-10,12-14,17H,6-8,11H2,1-3H3
InChIKeyFSQHLWMGUWEBJC-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.84
Rot. Bonds5

About N-(3-methoxycyclohexyl)-2-propan-2-yloxyaniline

N-(3-methoxycyclohexyl)-2-propan-2-yloxyaniline (PubChem CID 106871886) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(3-methoxycyclohexyl)-2-propan-2-yloxyaniline.

Molecular Properties

Compound NameN-(3-methoxycyclohexyl)-2-propan-2-yloxyaniline
PubChem CID106871886
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-(3-methoxycyclohexyl)-2-propan-2-yloxyaniline
SMILESCOC1CCCC(Nc2ccccc2OC(C)C)C1
InChIInChI=1S/C16H25NO2/c1-12(2)19-16-10-5-4-9-15(16)17-13-7-6-8-14(11-13)18-3/h4-5,9-10,12-14,17H,6-8,11H2,1-3H3
InChIKeyFSQHLWMGUWEBJC-UHFFFAOYSA-N
XLogP3.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-methyl-4-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-diamine
CID 117027474
N-(2-propan-2-yloxyphenyl)thian-3-amine
CID 62871809
2-[(dimethylamino)methyl]-N-(3-methoxycyclohexyl)aniline
CID 106871933
2-(difluoromethoxy)-N-(3-methylcyclohexyl)aniline
CID 43106368
2-methoxy-N-(3-methoxycyclohexyl)pyridin-3-amine
CID 106871796
2-propan-2-yloxy-N-[4-(trifluoromethyl)cyclohexyl]aniline
CID 64754868
N-cyclobutyl-5-fluoro-2-propan-2-yloxyaniline
CID 115885041
5-[(3-methoxycyclohexyl)amino]naphthalen-1-ol
CID 106871902
N-(3-propan-2-ylcyclohexyl)-2-(trifluoromethoxy)aniline
CID 107447794
N-(3-methylcyclohexyl)-2-(2-methylpropoxy)aniline
CID 63453489
N-(3-methoxycyclohexyl)-2-pyrazol-1-ylaniline
CID 106871747
3-chloro-1-N-(3-methoxycyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 106871888

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxycyclohexyl)-2-propan-2-yloxyaniline?
The IUPAC name of N-(3-methoxycyclohexyl)-2-propan-2-yloxyaniline (CID 106871886) is N-(3-methoxycyclohexyl)-2-propan-2-yloxyaniline.
What is the SMILES notation for N-(3-methoxycyclohexyl)-2-propan-2-yloxyaniline?
The canonical SMILES for N-(3-methoxycyclohexyl)-2-propan-2-yloxyaniline is COC1CCCC(Nc2ccccc2OC(C)C)C1.
What is the InChIKey of N-(3-methoxycyclohexyl)-2-propan-2-yloxyaniline?
The InChIKey is FSQHLWMGUWEBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(2)19-16-10-5-4-9-15(16)17-13-7-6-8-14(11-13)18-3/h4-5,9-10,12-14,17H,6-8,11H2,1-3H3.
What are the key properties of N-(3-methoxycyclohexyl)-2-propan-2-yloxyaniline?
N-(3-methoxycyclohexyl)-2-propan-2-yloxyaniline has a molecular weight of 263.38 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxycyclohexyl)-2-propan-2-yloxyaniline is sourced from PubChem (CID 106871886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).