N'-[3-(cyclohexylmethoxy)phenyl]ethane-1,2-diamine

C15H24N2O — CID 25256206

IUPACN'-[3-(cyclohexylmethoxy)phenyl]ethane-1,2-diamine
SMILESNCCNc1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C15H24N2O/c16-9-10-17-14-7-4-8-15(11-14)18-12-13-5-2-1-3-6-13/h4,7-8,11,13,17H,1-3,5-6,9-10,12,16H2
InChIKeyYBGJAMUVHFAQAF-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.02
Rot. Bonds6

About N'-[3-(cyclohexylmethoxy)phenyl]ethane-1,2-diamine

N'-[3-(cyclohexylmethoxy)phenyl]ethane-1,2-diamine (PubChem CID 25256206) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N'-[3-(cyclohexylmethoxy)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[3-(cyclohexylmethoxy)phenyl]ethane-1,2-diamine
PubChem CID25256206
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN'-[3-(cyclohexylmethoxy)phenyl]ethane-1,2-diamine
SMILESNCCNc1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C15H24N2O/c16-9-10-17-14-7-4-8-15(11-14)18-12-13-5-2-1-3-6-13/h4,7-8,11,13,17H,1-3,5-6,9-10,12,16H2
InChIKeyYBGJAMUVHFAQAF-UHFFFAOYSA-N
XLogP3.02
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-[3-(cyclohexylmethoxy)phenyl]ethane-1,2-diamine?
The IUPAC name of N'-[3-(cyclohexylmethoxy)phenyl]ethane-1,2-diamine (CID 25256206) is N'-[3-(cyclohexylmethoxy)phenyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[3-(cyclohexylmethoxy)phenyl]ethane-1,2-diamine?
The canonical SMILES for N'-[3-(cyclohexylmethoxy)phenyl]ethane-1,2-diamine is NCCNc1cccc(OCC2CCCCC2)c1.
What is the InChIKey of N'-[3-(cyclohexylmethoxy)phenyl]ethane-1,2-diamine?
The InChIKey is YBGJAMUVHFAQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c16-9-10-17-14-7-4-8-15(11-14)18-12-13-5-2-1-3-6-13/h4,7-8,11,13,17H,1-3,5-6,9-10,12,16H2.
What are the key properties of N'-[3-(cyclohexylmethoxy)phenyl]ethane-1,2-diamine?
N'-[3-(cyclohexylmethoxy)phenyl]ethane-1,2-diamine has a molecular weight of 248.37 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(cyclohexylmethoxy)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 25256206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).