N'-cyclohexyl-1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine

C17H28N2O2 — CID 16790532

IUPACN'-cyclohexyl-1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine
SMILESCOc1ccc(OC)c(C(N)CN(C)C2CCCCC2)c1
InChIInChI=1S/C17H28N2O2/c1-19(13-7-5-4-6-8-13)12-16(18)15-11-14(20-2)9-10-17(15)21-3/h9-11,13,16H,4-8,12,18H2,1-3H3
InChIKeyBUKYYJYQECBDPD-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.97
Rot. Bonds6

About N'-cyclohexyl-1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine

N'-cyclohexyl-1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine (PubChem CID 16790532) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N'-cyclohexyl-1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine
PubChem CID16790532
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN'-cyclohexyl-1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine
SMILESCOc1ccc(OC)c(C(N)CN(C)C2CCCCC2)c1
InChIInChI=1S/C17H28N2O2/c1-19(13-7-5-4-6-8-13)12-16(18)15-11-14(20-2)9-10-17(15)21-3/h9-11,13,16H,4-8,12,18H2,1-3H3
InChIKeyBUKYYJYQECBDPD-UHFFFAOYSA-N
XLogP2.97
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethoxyphenyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82734412
N'-(1-cyclopropylethyl)-1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine
CID 43569070
1-[2-amino-2-(2,5-dimethoxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63163900
1-(2,5-dimethoxyphenyl)-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 43570017
(R)-cyclohexyl-(2,5-dimethoxyphenyl)methanamine;hydrochloride
CID 171200242
N'-cyclohexyl-1-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 16786425
N'-cyclopentyl-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine
CID 43267133
1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine
CID 116932428
2-[cyclohexyl-(2,5-dimethoxyphenyl)methyl]-1,4-dimethoxybenzene
CID 70442578
(1R,2S)-2-amino-1-cyclohexyl-2-(2,5-dimethoxyphenyl)ethanol;hydrochloride
CID 171162374
1-(2,5-dimethoxyphenyl)-2-(3-methylcyclohexyl)oxyethanamine
CID 43127988
1-(2,5-dimethoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 16790008

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-cyclohexyl-1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine (CID 16790532) is N'-cyclohexyl-1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-cyclohexyl-1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-cyclohexyl-1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine is COc1ccc(OC)c(C(N)CN(C)C2CCCCC2)c1.
What is the InChIKey of N'-cyclohexyl-1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine?
The InChIKey is BUKYYJYQECBDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-19(13-7-5-4-6-8-13)12-16(18)15-11-14(20-2)9-10-17(15)21-3/h9-11,13,16H,4-8,12,18H2,1-3H3.
What are the key properties of N'-cyclohexyl-1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine?
N'-cyclohexyl-1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine has a molecular weight of 292.42 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 16790532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).