4-N-[(2,4-dimethoxyphenyl)methyl]-4-N-methylcyclohexane-1,4-diamine

C16H26N2O2 — CID 79121517

IUPAC4-N-[(2,4-dimethoxyphenyl)methyl]-4-N-methylcyclohexane-1,4-diamine
SMILESCOc1ccc(CN(C)C2CCC(N)CC2)c(OC)c1
InChIInChI=1S/C16H26N2O2/c1-18(14-7-5-13(17)6-8-14)11-12-4-9-15(19-2)10-16(12)20-3/h4,9-10,13-14H,5-8,11,17H2,1-3H3
InChIKeyDRPNOTHPMIQQMX-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.41
Rot. Bonds5

About 4-N-[(2,4-dimethoxyphenyl)methyl]-4-N-methylcyclohexane-1,4-diamine

4-N-[(2,4-dimethoxyphenyl)methyl]-4-N-methylcyclohexane-1,4-diamine (PubChem CID 79121517) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-N-[(2,4-dimethoxyphenyl)methyl]-4-N-methylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[(2,4-dimethoxyphenyl)methyl]-4-N-methylcyclohexane-1,4-diamine
PubChem CID79121517
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name4-N-[(2,4-dimethoxyphenyl)methyl]-4-N-methylcyclohexane-1,4-diamine
SMILESCOc1ccc(CN(C)C2CCC(N)CC2)c(OC)c1
InChIInChI=1S/C16H26N2O2/c1-18(14-7-5-13(17)6-8-14)11-12-4-9-15(19-2)10-16(12)20-3/h4,9-10,13-14H,5-8,11,17H2,1-3H3
InChIKeyDRPNOTHPMIQQMX-UHFFFAOYSA-N
XLogP2.41
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 2838290
N-[(2,4-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 55172188
2-[cyclopropyl-[(2,4-dimethoxyphenyl)methyl]amino]acetamide
CID 34960365
2-[cyclopropyl-[(2,4-dimethoxyphenyl)methyl]amino]acetic acid
CID 39364524
4-N-[2-(3-methoxyphenyl)ethyl]-4-N-methylcyclohexane-1,4-diamine
CID 115149922
N,N-bis[(2,4-dimethoxyphenyl)methyl]cyclopropanesulfonamide
CID 175393000
cis-(1S,2S)-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-phenylcyclopropan-1-amine
CID 124861935
2-[[(4-aminocyclohexyl)-ethylamino]methyl]-4-methoxyphenol
CID 79115140
trans-(1S,2R)-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-phenylcyclopropan-1-amine
CID 100672310
3-cyclohexyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methylpropanamide
CID 112790503
(2,4-dimethoxyphenyl)methyl-methylcarbamic acid
CID 115170960
1,2-bis[2-(2,4-dimethoxyphenyl)ethyl]pyrazolidin-4-amine
CID 20519799

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2,4-dimethoxyphenyl)methyl]-4-N-methylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-[(2,4-dimethoxyphenyl)methyl]-4-N-methylcyclohexane-1,4-diamine (CID 79121517) is 4-N-[(2,4-dimethoxyphenyl)methyl]-4-N-methylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[(2,4-dimethoxyphenyl)methyl]-4-N-methylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[(2,4-dimethoxyphenyl)methyl]-4-N-methylcyclohexane-1,4-diamine is COc1ccc(CN(C)C2CCC(N)CC2)c(OC)c1.
What is the InChIKey of 4-N-[(2,4-dimethoxyphenyl)methyl]-4-N-methylcyclohexane-1,4-diamine?
The InChIKey is DRPNOTHPMIQQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-18(14-7-5-13(17)6-8-14)11-12-4-9-15(19-2)10-16(12)20-3/h4,9-10,13-14H,5-8,11,17H2,1-3H3.
What are the key properties of 4-N-[(2,4-dimethoxyphenyl)methyl]-4-N-methylcyclohexane-1,4-diamine?
4-N-[(2,4-dimethoxyphenyl)methyl]-4-N-methylcyclohexane-1,4-diamine has a molecular weight of 278.40 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2,4-dimethoxyphenyl)methyl]-4-N-methylcyclohexane-1,4-diamine is sourced from PubChem (CID 79121517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).