1-N-[2-(2-methoxyethyl)phenyl]cyclohexane-1,3-diamine

C15H24N2O — CID 102903718

IUPAC1-N-[2-(2-methoxyethyl)phenyl]cyclohexane-1,3-diamine
SMILESCOCCc1ccccc1NC1CCCC(N)C1
InChIInChI=1S/C15H24N2O/c1-18-10-9-12-5-2-3-8-15(12)17-14-7-4-6-13(16)11-14/h2-3,5,8,13-14,17H,4,6-7,9-11,16H2,1H3
InChIKeyDOHOIUPDNDJTRW-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.56
Rot. Bonds5

About 1-N-[2-(2-methoxyethyl)phenyl]cyclohexane-1,3-diamine

1-N-[2-(2-methoxyethyl)phenyl]cyclohexane-1,3-diamine (PubChem CID 102903718) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-N-[2-(2-methoxyethyl)phenyl]cyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-[2-(2-methoxyethyl)phenyl]cyclohexane-1,3-diamine
PubChem CID102903718
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-N-[2-(2-methoxyethyl)phenyl]cyclohexane-1,3-diamine
SMILESCOCCc1ccccc1NC1CCCC(N)C1
InChIInChI=1S/C15H24N2O/c1-18-10-9-12-5-2-3-8-15(12)17-14-7-4-6-13(16)11-14/h2-3,5,8,13-14,17H,4,6-7,9-11,16H2,1H3
InChIKeyDOHOIUPDNDJTRW-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclobutyl-2-(2-methoxyethyl)aniline
CID 102848928
2-(2-methoxyethyl)-N-[3-(trifluoromethyl)cyclohexyl]aniline
CID 102848912
N-(3,4-dimethylcyclohexyl)-2-(2-methoxyethyl)aniline
CID 102903864
N-(4-ethylcyclohexyl)-2-(2-methoxyethyl)aniline
CID 102903852
N-[2-(2-methoxyethyl)phenyl]oxepan-4-amine
CID 102849048
1-N-[2-(pyrrolidin-1-ylmethyl)phenyl]cyclohexane-1,3-diamine
CID 79458660
1-N-(2-ethoxyphenyl)cyclohexane-1,3-diamine
CID 79459001
2-[2-(2-methoxyethyl)anilino]cyclopentan-1-ol
CID 102905089
1-N-(2-fluorophenyl)cyclohexane-1,3-diamine
CID 79458440
1-N-(2-tert-butylphenyl)cyclohexane-1,3-diamine
CID 79459321
2-[(dimethylamino)methyl]-N-(3-methoxycyclohexyl)aniline
CID 106871933
2-(2-methoxyethyl)-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 102903890

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(2-methoxyethyl)phenyl]cyclohexane-1,3-diamine?
The IUPAC name of 1-N-[2-(2-methoxyethyl)phenyl]cyclohexane-1,3-diamine (CID 102903718) is 1-N-[2-(2-methoxyethyl)phenyl]cyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-[2-(2-methoxyethyl)phenyl]cyclohexane-1,3-diamine?
The canonical SMILES for 1-N-[2-(2-methoxyethyl)phenyl]cyclohexane-1,3-diamine is COCCc1ccccc1NC1CCCC(N)C1.
What is the InChIKey of 1-N-[2-(2-methoxyethyl)phenyl]cyclohexane-1,3-diamine?
The InChIKey is DOHOIUPDNDJTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-18-10-9-12-5-2-3-8-15(12)17-14-7-4-6-13(16)11-14/h2-3,5,8,13-14,17H,4,6-7,9-11,16H2,1H3.
What are the key properties of 1-N-[2-(2-methoxyethyl)phenyl]cyclohexane-1,3-diamine?
1-N-[2-(2-methoxyethyl)phenyl]cyclohexane-1,3-diamine has a molecular weight of 248.37 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(2-methoxyethyl)phenyl]cyclohexane-1,3-diamine is sourced from PubChem (CID 102903718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).