4-N-[(2-methoxy-5-pyridin-2-ylphenyl)methyl]-1-N-methylcyclohexane-1,4-diamine;dihydrochloride

C20H29Cl2N3O — CID 69165157

IUPAC4-N-[(2-methoxy-5-pyridin-2-ylphenyl)methyl]-1-N-methylcyclohexane-1,4-diamine;dihydrochloride
SMILESCNC1CCC(NCc2cc(-c3ccccn3)ccc2OC)CC1.Cl.Cl
InChIInChI=1S/C20H27N3O.2ClH/c1-21-17-7-9-18(10-8-17)23-14-16-13-15(6-11-20(16)24-2)19-5-3-4-12-22-19;;/h3-6,11-13,17-18,21,23H,7-10,14H2,1-2H3;2*1H
InChIKeyGNUGBFWSCNCSTM-UHFFFAOYSA-N
MW398.38 g/mol
LogP4.22
Rot. Bonds6

About 4-N-[(2-methoxy-5-pyridin-2-ylphenyl)methyl]-1-N-methylcyclohexane-1,4-diamine;dihydrochloride

4-N-[(2-methoxy-5-pyridin-2-ylphenyl)methyl]-1-N-methylcyclohexane-1,4-diamine;dihydrochloride (PubChem CID 69165157) has the molecular formula C20H29Cl2N3O and a molecular weight of 398.38 g/mol. Its IUPAC name is 4-N-[(2-methoxy-5-pyridin-2-ylphenyl)methyl]-1-N-methylcyclohexane-1,4-diamine;dihydrochloride.

Molecular Properties

Compound Name4-N-[(2-methoxy-5-pyridin-2-ylphenyl)methyl]-1-N-methylcyclohexane-1,4-diamine;dihydrochloride
PubChem CID69165157
Molecular FormulaC20H29Cl2N3O
Molecular Weight398.38 g/mol
Exact Mass397.17
IUPAC Name4-N-[(2-methoxy-5-pyridin-2-ylphenyl)methyl]-1-N-methylcyclohexane-1,4-diamine;dihydrochloride
SMILESCNC1CCC(NCc2cc(-c3ccccn3)ccc2OC)CC1.Cl.Cl
InChIInChI=1S/C20H27N3O.2ClH/c1-21-17-7-9-18(10-8-17)23-14-16-13-15(6-11-20(16)24-2)19-5-3-4-12-22-19;;/h3-6,11-13,17-18,21,23H,7-10,14H2,1-2H3;2*1H
InChIKeyGNUGBFWSCNCSTM-UHFFFAOYSA-N
XLogP4.22
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.38
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-[(2-methoxy-5-pyridin-2-ylphenyl)methyl]-1-N-methylcyclohexane-1,4-diamine;dihydrochloride with MolForge

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Related Compounds

1-(2-methoxy-5-pyridin-2-ylphenyl)-N-methylmethanamine
CID 63680782
1-[3-[4-methoxy-3-[[[4-(methylamino)cyclohexyl]amino]methyl]phenyl]phenyl]ethanone;hydrochloride
CID 69166885
N-[(2-methoxy-5-pyridin-2-ylphenyl)methyl]ethanamine
CID 63679441
4-N-[[5-(6-fluoro-3-pyridinyl)-2-methoxyphenyl]methyl]-1-N-methylcyclohexane-1,4-diamine
CID 69165178
[4-[4-methoxy-3-[[[4-(methylamino)cyclohexyl]amino]methyl]phenyl]phenyl]methanol;hydrochloride
CID 69166582
N-[(2-methoxy-5-pyridin-2-ylphenyl)methyl]-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide;dihydrochloride
CID 143670287
4-N-[(2-ethoxy-5-phenylphenyl)methyl]-1-N-methylcyclohexane-1,4-diamine;hydrochloride
CID 69165248
N-[[5-(4-chlorophenyl)-2-methoxyphenyl]methyl]cyclopropanamine
CID 61025295
N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 167726962
4-N-[[5-(2-aminopyrimidin-5-yl)-2-ethoxyphenyl]methyl]-1-N-methylcyclohexane-1,4-diamine;dihydrochloride
CID 69165749
N-cyclopropyl-6-[3-[(cyclopropylamino)methyl]-4-methoxyphenyl]quinazolin-4-amine
CID 68943884
N-[(2-methoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17331524

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-methoxy-5-pyridin-2-ylphenyl)methyl]-1-N-methylcyclohexane-1,4-diamine;dihydrochloride?
The IUPAC name of 4-N-[(2-methoxy-5-pyridin-2-ylphenyl)methyl]-1-N-methylcyclohexane-1,4-diamine;dihydrochloride (CID 69165157) is 4-N-[(2-methoxy-5-pyridin-2-ylphenyl)methyl]-1-N-methylcyclohexane-1,4-diamine;dihydrochloride.
What is the SMILES notation for 4-N-[(2-methoxy-5-pyridin-2-ylphenyl)methyl]-1-N-methylcyclohexane-1,4-diamine;dihydrochloride?
The canonical SMILES for 4-N-[(2-methoxy-5-pyridin-2-ylphenyl)methyl]-1-N-methylcyclohexane-1,4-diamine;dihydrochloride is CNC1CCC(NCc2cc(-c3ccccn3)ccc2OC)CC1.Cl.Cl.
What is the InChIKey of 4-N-[(2-methoxy-5-pyridin-2-ylphenyl)methyl]-1-N-methylcyclohexane-1,4-diamine;dihydrochloride?
The InChIKey is GNUGBFWSCNCSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O.2ClH/c1-21-17-7-9-18(10-8-17)23-14-16-13-15(6-11-20(16)24-2)19-5-3-4-12-22-19;;/h3-6,11-13,17-18,21,23H,7-10,14H2,1-2H3;2*1H.
What are the key properties of 4-N-[(2-methoxy-5-pyridin-2-ylphenyl)methyl]-1-N-methylcyclohexane-1,4-diamine;dihydrochloride?
4-N-[(2-methoxy-5-pyridin-2-ylphenyl)methyl]-1-N-methylcyclohexane-1,4-diamine;dihydrochloride has a molecular weight of 398.38 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-methoxy-5-pyridin-2-ylphenyl)methyl]-1-N-methylcyclohexane-1,4-diamine;dihydrochloride is sourced from PubChem (CID 69165157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).