4-N-methyl-4-N-[2-(2-methylphenoxy)ethyl]cyclohexane-1,4-diamine

C16H26N2O — CID 79121489

IUPAC4-N-methyl-4-N-[2-(2-methylphenoxy)ethyl]cyclohexane-1,4-diamine
SMILESCc1ccccc1OCCN(C)C1CCC(N)CC1
InChIInChI=1S/C16H26N2O/c1-13-5-3-4-6-16(13)19-12-11-18(2)15-9-7-14(17)8-10-15/h3-6,14-15H,7-12,17H2,1-2H3
InChIKeyWNDXWFGTBTWCCT-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.58
Rot. Bonds5

About 4-N-methyl-4-N-[2-(2-methylphenoxy)ethyl]cyclohexane-1,4-diamine

4-N-methyl-4-N-[2-(2-methylphenoxy)ethyl]cyclohexane-1,4-diamine (PubChem CID 79121489) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-N-methyl-4-N-[2-(2-methylphenoxy)ethyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-[2-(2-methylphenoxy)ethyl]cyclohexane-1,4-diamine
PubChem CID79121489
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-N-methyl-4-N-[2-(2-methylphenoxy)ethyl]cyclohexane-1,4-diamine
SMILESCc1ccccc1OCCN(C)C1CCC(N)CC1
InChIInChI=1S/C16H26N2O/c1-13-5-3-4-6-16(13)19-12-11-18(2)15-9-7-14(17)8-10-15/h3-6,14-15H,7-12,17H2,1-2H3
InChIKeyWNDXWFGTBTWCCT-UHFFFAOYSA-N
XLogP2.58
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[2-(2,5-dimethylphenoxy)ethyl]-4-N-methylcyclohexane-1,4-diamine
CID 79121578
4-N-[2-(2,4-dichlorophenoxy)ethyl]-4-N-methylcyclohexane-1,4-diamine
CID 79121912
2-[2-[cyclopropyl(methyl)amino]ethoxy]-6-propoxyaniline
CID 102739820
N-[2-(2-methylphenoxy)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79705274
4-N-ethyl-4-N-[2-(2-methoxyphenoxy)ethyl]cyclohexane-1,4-diamine
CID 79114793
N-[2-[2-[(tert-butylamino)methyl]phenoxy]ethyl]-N-methylcyclopropanamine
CID 62417039
N-[2-(2-methoxyphenoxy)ethyl]-N-methylthian-4-amine
CID 91831507
N-[2-[2-(aminomethyl)-4-methylphenoxy]ethyl]-N-methylcyclopropanamine
CID 114016709
N-methyl-2-(2-methylphenoxy)-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
CID 119929851
4-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]cyclopent-2-ene-1-carboxamide
CID 79210479
1-(aminomethyl)-2-[2-(2-methylphenoxy)ethyl]cyclopentan-1-ol
CID 79588148
4-N-methyl-4-N-(3-phenylpropyl)cyclohexane-1,4-diamine
CID 79121272

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-[2-(2-methylphenoxy)ethyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-methyl-4-N-[2-(2-methylphenoxy)ethyl]cyclohexane-1,4-diamine (CID 79121489) is 4-N-methyl-4-N-[2-(2-methylphenoxy)ethyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-[2-(2-methylphenoxy)ethyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-[2-(2-methylphenoxy)ethyl]cyclohexane-1,4-diamine is Cc1ccccc1OCCN(C)C1CCC(N)CC1.
What is the InChIKey of 4-N-methyl-4-N-[2-(2-methylphenoxy)ethyl]cyclohexane-1,4-diamine?
The InChIKey is WNDXWFGTBTWCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13-5-3-4-6-16(13)19-12-11-18(2)15-9-7-14(17)8-10-15/h3-6,14-15H,7-12,17H2,1-2H3.
What are the key properties of 4-N-methyl-4-N-[2-(2-methylphenoxy)ethyl]cyclohexane-1,4-diamine?
4-N-methyl-4-N-[2-(2-methylphenoxy)ethyl]cyclohexane-1,4-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-[2-(2-methylphenoxy)ethyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 79121489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).