4-N-[1-(4-methoxyphenyl)ethyl]cyclohexane-1,4-diamine

C15H24N2O — CID 55062721

IUPAC4-N-[1-(4-methoxyphenyl)ethyl]cyclohexane-1,4-diamine
SMILESCOc1ccc(C(C)NC2CCC(N)CC2)cc1
InChIInChI=1S/C15H24N2O/c1-11(12-3-9-15(18-2)10-4-12)17-14-7-5-13(16)6-8-14/h3-4,9-11,13-14,17H,5-8,16H2,1-2H3
InChIKeyIYCAGUQVXLROMY-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.62
Rot. Bonds4

About 4-N-[1-(4-methoxyphenyl)ethyl]cyclohexane-1,4-diamine

4-N-[1-(4-methoxyphenyl)ethyl]cyclohexane-1,4-diamine (PubChem CID 55062721) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-N-[1-(4-methoxyphenyl)ethyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[1-(4-methoxyphenyl)ethyl]cyclohexane-1,4-diamine
PubChem CID55062721
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-N-[1-(4-methoxyphenyl)ethyl]cyclohexane-1,4-diamine
SMILESCOc1ccc(C(C)NC2CCC(N)CC2)cc1
InChIInChI=1S/C15H24N2O/c1-11(12-3-9-15(18-2)10-4-12)17-14-7-5-13(16)6-8-14/h3-4,9-11,13-14,17H,5-8,16H2,1-2H3
InChIKeyIYCAGUQVXLROMY-UHFFFAOYSA-N
XLogP2.62
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methoxyphenyl)ethyl]cyclohexanamine
CID 43189950
N-[(1R)-1-(4-methoxyphenyl)ethyl]thian-4-amine
CID 81370902
N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-methylcycloheptan-1-amine
CID 81370708
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methylcyclobutan-1-amine
CID 103562144
N-[1-(4-methoxyphenyl)ethyl]azetidin-3-amine
CID 66244684
3-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]cyclobutan-1-amine
CID 106821544
N-[1-(4-methoxyphenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 54949814
cis-(1S,2R)-1-N-[(1S)-1-(4-methoxyphenyl)ethyl]cyclopentane-1,2-diamine
CID 124745453
N-[1-(4-methoxyphenyl)ethyl]pyrrolidin-3-amine
CID 79741892
N-[(1S)-1-(4-methoxyphenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103961016
N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidin-3-amine
CID 81370566
N-cyclopropyl-1-(4-methoxyphenyl)ethane-1,2-diamine
CID 62070325

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(4-methoxyphenyl)ethyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[1-(4-methoxyphenyl)ethyl]cyclohexane-1,4-diamine (CID 55062721) is 4-N-[1-(4-methoxyphenyl)ethyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[1-(4-methoxyphenyl)ethyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[1-(4-methoxyphenyl)ethyl]cyclohexane-1,4-diamine is COc1ccc(C(C)NC2CCC(N)CC2)cc1.
What is the InChIKey of 4-N-[1-(4-methoxyphenyl)ethyl]cyclohexane-1,4-diamine?
The InChIKey is IYCAGUQVXLROMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11(12-3-9-15(18-2)10-4-12)17-14-7-5-13(16)6-8-14/h3-4,9-11,13-14,17H,5-8,16H2,1-2H3.
What are the key properties of 4-N-[1-(4-methoxyphenyl)ethyl]cyclohexane-1,4-diamine?
4-N-[1-(4-methoxyphenyl)ethyl]cyclohexane-1,4-diamine has a molecular weight of 248.37 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(4-methoxyphenyl)ethyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 55062721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).