1-N-methyl-4-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-diamine

C16H26N2O — CID 117027474

IUPAC1-N-methyl-4-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-diamine
SMILESCNC1CCC(Nc2ccccc2OC(C)C)CC1
InChIInChI=1S/C16H26N2O/c1-12(2)19-16-7-5-4-6-15(16)18-14-10-8-13(17-3)9-11-14/h4-7,12-14,17-18H,8-11H2,1-3H3
InChIKeyXNDBTSBAYUKEPP-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.42
Rot. Bonds5

About 1-N-methyl-4-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-diamine

1-N-methyl-4-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-diamine (PubChem CID 117027474) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-N-methyl-4-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N-methyl-4-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-diamine
PubChem CID117027474
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-N-methyl-4-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-diamine
SMILESCNC1CCC(Nc2ccccc2OC(C)C)CC1
InChIInChI=1S/C16H26N2O/c1-12(2)19-16-7-5-4-6-15(16)18-14-10-8-13(17-3)9-11-14/h4-7,12-14,17-18H,8-11H2,1-3H3
InChIKeyXNDBTSBAYUKEPP-UHFFFAOYSA-N
XLogP3.42
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-propan-2-yloxy-N-[4-(trifluoromethyl)cyclohexyl]aniline
CID 64754868
N-(3-methoxycyclohexyl)-2-propan-2-yloxyaniline
CID 106871886
N-(2-propan-2-yloxyphenyl)thian-3-amine
CID 62871809
N-[2-(difluoromethoxy)phenyl]-4-methylcycloheptan-1-amine
CID 65081271
N-cyclobutyl-5-fluoro-2-propan-2-yloxyaniline
CID 115885041
4-N-(2-chlorophenyl)-1-N-methylcyclohexane-1,4-diamine
CID 117027455
N-(1-cyclopropylpropan-2-yl)-2-propan-2-yloxyaniline
CID 115920688
N-cyclopentyl-2-(2-methylpropoxy)aniline
CID 54864910
N-(2-propan-2-yloxyphenyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43739214
N-[1-(2-propan-2-yloxyphenyl)ethyl]cyclopropanamine
CID 103439093
N-[2-(difluoromethoxy)phenyl]thian-4-amine
CID 43511331
N-(2-methoxyphenyl)-1-propan-2-ylpiperidin-4-amine
CID 5131485

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-4-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-diamine?
The IUPAC name of 1-N-methyl-4-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-diamine (CID 117027474) is 1-N-methyl-4-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 1-N-methyl-4-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-diamine?
The canonical SMILES for 1-N-methyl-4-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-diamine is CNC1CCC(Nc2ccccc2OC(C)C)CC1.
What is the InChIKey of 1-N-methyl-4-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-diamine?
The InChIKey is XNDBTSBAYUKEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(2)19-16-7-5-4-6-15(16)18-14-10-8-13(17-3)9-11-14/h4-7,12-14,17-18H,8-11H2,1-3H3.
What are the key properties of 1-N-methyl-4-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-diamine?
1-N-methyl-4-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-diamine has a molecular weight of 262.40 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-4-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 117027474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).