4-N-(2-propoxyphenyl)cyclohexane-1,4-diamine

C15H24N2O — CID 79724258

IUPAC4-N-(2-propoxyphenyl)cyclohexane-1,4-diamine
SMILESCCCOc1ccccc1NC1CCC(N)CC1
InChIInChI=1S/C15H24N2O/c1-2-11-18-15-6-4-3-5-14(15)17-13-9-7-12(16)8-10-13/h3-6,12-13,17H,2,7-11,16H2,1H3
InChIKeyHLHOBKBTBSOEDX-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.16
Rot. Bonds5

About 4-N-(2-propoxyphenyl)cyclohexane-1,4-diamine

4-N-(2-propoxyphenyl)cyclohexane-1,4-diamine (PubChem CID 79724258) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-N-(2-propoxyphenyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-propoxyphenyl)cyclohexane-1,4-diamine
PubChem CID79724258
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-N-(2-propoxyphenyl)cyclohexane-1,4-diamine
SMILESCCCOc1ccccc1NC1CCC(N)CC1
InChIInChI=1S/C15H24N2O/c1-2-11-18-15-6-4-3-5-14(15)17-13-9-7-12(16)8-10-13/h3-6,12-13,17H,2,7-11,16H2,1H3
InChIKeyHLHOBKBTBSOEDX-UHFFFAOYSA-N
XLogP3.16
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-propoxyaniline
CID 43682292
N-(3,3-dimethylcyclopentyl)-2-propoxyaniline
CID 80705624
2-propoxy-N-(3,3,5,5-tetramethylcyclohexyl)aniline
CID 115998703
N-(cyclopropylmethyl)-2-propoxyaniline
CID 43682348
1-N-(2-ethoxyphenyl)cyclohexane-1,3-diamine
CID 79459001
1-N-(oxan-4-yl)-3-propoxybenzene-1,2-diamine
CID 113393325
N-(2-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine
CID 63426599
1-N-(2,3-dihydro-1H-inden-2-yl)-3-propoxybenzene-1,2-diamine
CID 107844538
N-[(1-methylpiperidin-4-yl)methyl]-2-propoxyaniline
CID 55100134
N-cyclopentyl-2-(2-methylpropoxy)aniline
CID 54864910
1-(4-hydroxycyclohexyl)-3-(2-propoxyphenyl)urea
CID 110890850
N-(piperidin-3-ylmethyl)-2-propoxyaniline
CID 80553333

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-propoxyphenyl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-(2-propoxyphenyl)cyclohexane-1,4-diamine (CID 79724258) is 4-N-(2-propoxyphenyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(2-propoxyphenyl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(2-propoxyphenyl)cyclohexane-1,4-diamine is CCCOc1ccccc1NC1CCC(N)CC1.
What is the InChIKey of 4-N-(2-propoxyphenyl)cyclohexane-1,4-diamine?
The InChIKey is HLHOBKBTBSOEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-2-11-18-15-6-4-3-5-14(15)17-13-9-7-12(16)8-10-13/h3-6,12-13,17H,2,7-11,16H2,1H3.
What are the key properties of 4-N-(2-propoxyphenyl)cyclohexane-1,4-diamine?
4-N-(2-propoxyphenyl)cyclohexane-1,4-diamine has a molecular weight of 248.37 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-propoxyphenyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 79724258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).