4-N-[(2-ethoxy-5-phenylphenyl)methyl]-1-N-methylcyclohexane-1,4-diamine;hydrochloride

C22H31ClN2O — CID 69165248

IUPAC4-N-[(2-ethoxy-5-phenylphenyl)methyl]-1-N-methylcyclohexane-1,4-diamine;hydrochloride
SMILESCCOc1ccc(-c2ccccc2)cc1CNC1CCC(NC)CC1.Cl
InChIInChI=1S/C22H30N2O.ClH/c1-3-25-22-14-9-18(17-7-5-4-6-8-17)15-19(22)16-24-21-12-10-20(23-2)11-13-21;/h4-9,14-15,20-21,23-24H,3,10-13,16H2,1-2H3;1H
InChIKeyUIIQXMKZBABZKE-UHFFFAOYSA-N
MW374.96 g/mol
LogP4.79
Rot. Bonds7

About 4-N-[(2-ethoxy-5-phenylphenyl)methyl]-1-N-methylcyclohexane-1,4-diamine;hydrochloride

4-N-[(2-ethoxy-5-phenylphenyl)methyl]-1-N-methylcyclohexane-1,4-diamine;hydrochloride (PubChem CID 69165248) has the molecular formula C22H31ClN2O and a molecular weight of 374.96 g/mol. Its IUPAC name is 4-N-[(2-ethoxy-5-phenylphenyl)methyl]-1-N-methylcyclohexane-1,4-diamine;hydrochloride.

Molecular Properties

Compound Name4-N-[(2-ethoxy-5-phenylphenyl)methyl]-1-N-methylcyclohexane-1,4-diamine;hydrochloride
PubChem CID69165248
Molecular FormulaC22H31ClN2O
Molecular Weight374.96 g/mol
Exact Mass374.21
IUPAC Name4-N-[(2-ethoxy-5-phenylphenyl)methyl]-1-N-methylcyclohexane-1,4-diamine;hydrochloride
SMILESCCOc1ccc(-c2ccccc2)cc1CNC1CCC(NC)CC1.Cl
InChIInChI=1S/C22H30N2O.ClH/c1-3-25-22-14-9-18(17-7-5-4-6-8-17)15-19(22)16-24-21-12-10-20(23-2)11-13-21;/h4-9,14-15,20-21,23-24H,3,10-13,16H2,1-2H3;1H
InChIKeyUIIQXMKZBABZKE-UHFFFAOYSA-N
XLogP4.79
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.96
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[[5-(2-aminopyrimidin-5-yl)-2-ethoxyphenyl]methyl]-1-N-methylcyclohexane-1,4-diamine;dihydrochloride
CID 69165749
4-N-[[5-(2-aminopyrimidin-5-yl)-2-ethoxyphenyl]methyl]-1-N-methylcyclohexane-1,4-diamine
CID 69165750
4-N-[[5-[2-(dimethylamino)pyrimidin-5-yl]-2-ethoxyphenyl]methyl]-1-N-methylcyclohexane-1,4-diamine;dihydrochloride
CID 69165487
4-N-[[5-[2-(dimethylamino)pyrimidin-5-yl]-2-ethoxyphenyl]methyl]-1-N-methylcyclohexane-1,4-diamine
CID 69165488
[4-[4-methoxy-3-[[[4-(methylamino)cyclohexyl]amino]methyl]phenyl]phenyl]methanol;hydrochloride
CID 69166582
4-N-[(2-methoxy-5-pyridin-2-ylphenyl)methyl]-1-N-methylcyclohexane-1,4-diamine;dihydrochloride
CID 69165157
N-[(2-ethoxyphenyl)methyl]cyclohexanamine;hydrochloride
CID 6460007
[4-[[5-[4-[acetyl(methyl)amino]phenyl]-2-ethoxyphenyl]methylamino]cyclohexyl]-methylcarbamic acid
CID 69188984
1-[3-[4-methoxy-3-[[[4-(methylamino)cyclohexyl]amino]methyl]phenyl]phenyl]ethanone;hydrochloride
CID 69166885
[4-[[2-ethoxy-5-(6-methyl-3-pyridinyl)phenyl]methylamino]cyclohexyl]-methylcarbamic acid
CID 69164623
N-[[5-(4-chlorophenyl)-2-methoxyphenyl]methyl]cyclopropanamine
CID 61025295
4-N-[[5-(6-fluoro-3-pyridinyl)-2-methoxyphenyl]methyl]-1-N-methylcyclohexane-1,4-diamine
CID 69165178

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-ethoxy-5-phenylphenyl)methyl]-1-N-methylcyclohexane-1,4-diamine;hydrochloride?
The IUPAC name of 4-N-[(2-ethoxy-5-phenylphenyl)methyl]-1-N-methylcyclohexane-1,4-diamine;hydrochloride (CID 69165248) is 4-N-[(2-ethoxy-5-phenylphenyl)methyl]-1-N-methylcyclohexane-1,4-diamine;hydrochloride.
What is the SMILES notation for 4-N-[(2-ethoxy-5-phenylphenyl)methyl]-1-N-methylcyclohexane-1,4-diamine;hydrochloride?
The canonical SMILES for 4-N-[(2-ethoxy-5-phenylphenyl)methyl]-1-N-methylcyclohexane-1,4-diamine;hydrochloride is CCOc1ccc(-c2ccccc2)cc1CNC1CCC(NC)CC1.Cl.
What is the InChIKey of 4-N-[(2-ethoxy-5-phenylphenyl)methyl]-1-N-methylcyclohexane-1,4-diamine;hydrochloride?
The InChIKey is UIIQXMKZBABZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O.ClH/c1-3-25-22-14-9-18(17-7-5-4-6-8-17)15-19(22)16-24-21-12-10-20(23-2)11-13-21;/h4-9,14-15,20-21,23-24H,3,10-13,16H2,1-2H3;1H.
What are the key properties of 4-N-[(2-ethoxy-5-phenylphenyl)methyl]-1-N-methylcyclohexane-1,4-diamine;hydrochloride?
4-N-[(2-ethoxy-5-phenylphenyl)methyl]-1-N-methylcyclohexane-1,4-diamine;hydrochloride has a molecular weight of 374.96 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-ethoxy-5-phenylphenyl)methyl]-1-N-methylcyclohexane-1,4-diamine;hydrochloride is sourced from PubChem (CID 69165248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).