4-N-[2-(2,5-dimethylphenoxy)ethyl]-4-N-methylcyclohexane-1,4-diamine

C17H28N2O — CID 79121578

IUPAC4-N-[2-(2,5-dimethylphenoxy)ethyl]-4-N-methylcyclohexane-1,4-diamine
SMILESCc1ccc(C)c(OCCN(C)C2CCC(N)CC2)c1
InChIInChI=1S/C17H28N2O/c1-13-4-5-14(2)17(12-13)20-11-10-19(3)16-8-6-15(18)7-9-16/h4-5,12,15-16H,6-11,18H2,1-3H3
InChIKeyLDPHCQRVIUFQKW-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.88
Rot. Bonds5

About 4-N-[2-(2,5-dimethylphenoxy)ethyl]-4-N-methylcyclohexane-1,4-diamine

4-N-[2-(2,5-dimethylphenoxy)ethyl]-4-N-methylcyclohexane-1,4-diamine (PubChem CID 79121578) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 4-N-[2-(2,5-dimethylphenoxy)ethyl]-4-N-methylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[2-(2,5-dimethylphenoxy)ethyl]-4-N-methylcyclohexane-1,4-diamine
PubChem CID79121578
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name4-N-[2-(2,5-dimethylphenoxy)ethyl]-4-N-methylcyclohexane-1,4-diamine
SMILESCc1ccc(C)c(OCCN(C)C2CCC(N)CC2)c1
InChIInChI=1S/C17H28N2O/c1-13-4-5-14(2)17(12-13)20-11-10-19(3)16-8-6-15(18)7-9-16/h4-5,12,15-16H,6-11,18H2,1-3H3
InChIKeyLDPHCQRVIUFQKW-UHFFFAOYSA-N
XLogP2.88
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-methyl-4-N-[2-(2-methylphenoxy)ethyl]cyclohexane-1,4-diamine
CID 79121489
4-N-[2-(2,4-dichlorophenoxy)ethyl]-4-N-methylcyclohexane-1,4-diamine
CID 79121912
N-[2-[2-(aminomethyl)-4-methylphenoxy]ethyl]-N-methylcyclopropanamine
CID 114016709
2-[cyclopropyl-[2-(2,5-dimethylphenoxy)ethyl]amino]propanoic acid
CID 122083076
2-(cyclopropylmethoxy)-1,4-dimethylbenzene
CID 160770501
1-[3-(2,5-dimethylphenoxy)propyl]azetidin-3-amine
CID 65250062
N-[2-(2,5-dimethylphenoxy)ethyl]-N-propylpiperidin-4-amine
CID 60807508
N-cyclopropyl-2-(2,5-dimethylphenoxy)-N-methylacetamide
CID 113222109
(3S)-1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-3-amine
CID 81491707
1-[2-(2,5-dimethylphenoxy)ethyl]piperidin-3-amine
CID 61295726
N-[2-(2,5-dimethylphenoxy)ethyl]-N-(pyridin-3-ylmethyl)cyclopropanamine
CID 112801651
N'-[2-(2,5-dimethylphenoxy)ethyl]-N',2,2-trimethylpropane-1,3-diamine
CID 79653205

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(2,5-dimethylphenoxy)ethyl]-4-N-methylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-[2-(2,5-dimethylphenoxy)ethyl]-4-N-methylcyclohexane-1,4-diamine (CID 79121578) is 4-N-[2-(2,5-dimethylphenoxy)ethyl]-4-N-methylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[2-(2,5-dimethylphenoxy)ethyl]-4-N-methylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[2-(2,5-dimethylphenoxy)ethyl]-4-N-methylcyclohexane-1,4-diamine is Cc1ccc(C)c(OCCN(C)C2CCC(N)CC2)c1.
What is the InChIKey of 4-N-[2-(2,5-dimethylphenoxy)ethyl]-4-N-methylcyclohexane-1,4-diamine?
The InChIKey is LDPHCQRVIUFQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13-4-5-14(2)17(12-13)20-11-10-19(3)16-8-6-15(18)7-9-16/h4-5,12,15-16H,6-11,18H2,1-3H3.
What are the key properties of 4-N-[2-(2,5-dimethylphenoxy)ethyl]-4-N-methylcyclohexane-1,4-diamine?
4-N-[2-(2,5-dimethylphenoxy)ethyl]-4-N-methylcyclohexane-1,4-diamine has a molecular weight of 276.42 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(2,5-dimethylphenoxy)ethyl]-4-N-methylcyclohexane-1,4-diamine is sourced from PubChem (CID 79121578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).