4-N-[(4-ethoxy-3-methoxyphenyl)methyl]cyclohexane-1,4-diamine

C16H26N2O2 — CID 62314200

IUPAC4-N-[(4-ethoxy-3-methoxyphenyl)methyl]cyclohexane-1,4-diamine
SMILESCCOc1ccc(CNC2CCC(N)CC2)cc1OC
InChIInChI=1S/C16H26N2O2/c1-3-20-15-9-4-12(10-16(15)19-2)11-18-14-7-5-13(17)6-8-14/h4,9-10,13-14,18H,3,5-8,11,17H2,1-2H3
InChIKeyPGYNWIHKFZKTJJ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.45
Rot. Bonds6

About 4-N-[(4-ethoxy-3-methoxyphenyl)methyl]cyclohexane-1,4-diamine

4-N-[(4-ethoxy-3-methoxyphenyl)methyl]cyclohexane-1,4-diamine (PubChem CID 62314200) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-N-[(4-ethoxy-3-methoxyphenyl)methyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[(4-ethoxy-3-methoxyphenyl)methyl]cyclohexane-1,4-diamine
PubChem CID62314200
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name4-N-[(4-ethoxy-3-methoxyphenyl)methyl]cyclohexane-1,4-diamine
SMILESCCOc1ccc(CNC2CCC(N)CC2)cc1OC
InChIInChI=1S/C16H26N2O2/c1-3-20-15-9-4-12(10-16(15)19-2)11-18-14-7-5-13(17)6-8-14/h4,9-10,13-14,18H,3,5-8,11,17H2,1-2H3
InChIKeyPGYNWIHKFZKTJJ-UHFFFAOYSA-N
XLogP2.45
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-[(4-ethoxy-3-methoxyphenyl)methyl]cyclohexane-1,4-diamine with MolForge

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Related Compounds

N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methylpiperidin-4-amine
CID 43215907
N-[[4-(cyclopentylmethoxy)-3-methoxyphenyl]methyl]cyclopropanamine
CID 61344979
4-[(4-ethoxy-3-methoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509717
4-[[(4-aminocyclohexyl)amino]methyl]-2-methoxyphenol
CID 62312790
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-ethylcyclohexan-1-amine
CID 64741035
N-[[3-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]cyclopropanamine
CID 43560119
N-[[3-methoxy-4-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine
CID 104646908
N-[(3-ethoxy-4-methoxyphenyl)methyl]-4-(methylsulfonylmethyl)cyclohexan-1-amine
CID 136544926
4-N-[(3,4,5-trimethoxyphenyl)methyl]cyclohexane-1,4-diamine
CID 62312789
1-N-[(3,4-dimethoxyphenyl)methyl]cyclohexane-1,3-diamine
CID 79458725
N-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]cyclopropanamine
CID 60881685
N-[[4-(cyclopropylmethoxymethoxy)-3-ethoxyphenyl]methyl]cyclopropanamine
CID 106929132

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-ethoxy-3-methoxyphenyl)methyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[(4-ethoxy-3-methoxyphenyl)methyl]cyclohexane-1,4-diamine (CID 62314200) is 4-N-[(4-ethoxy-3-methoxyphenyl)methyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[(4-ethoxy-3-methoxyphenyl)methyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[(4-ethoxy-3-methoxyphenyl)methyl]cyclohexane-1,4-diamine is CCOc1ccc(CNC2CCC(N)CC2)cc1OC.
What is the InChIKey of 4-N-[(4-ethoxy-3-methoxyphenyl)methyl]cyclohexane-1,4-diamine?
The InChIKey is PGYNWIHKFZKTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-20-15-9-4-12(10-16(15)19-2)11-18-14-7-5-13(17)6-8-14/h4,9-10,13-14,18H,3,5-8,11,17H2,1-2H3.
What are the key properties of 4-N-[(4-ethoxy-3-methoxyphenyl)methyl]cyclohexane-1,4-diamine?
4-N-[(4-ethoxy-3-methoxyphenyl)methyl]cyclohexane-1,4-diamine has a molecular weight of 278.40 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-ethoxy-3-methoxyphenyl)methyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 62314200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).