N'-(cyclopentylmethyl)-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine

C17H28N2O — CID 63632634

IUPACN'-(cyclopentylmethyl)-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine
SMILESCCOc1ccccc1C(N)CN(C)CC1CCCC1
InChIInChI=1S/C17H28N2O/c1-3-20-17-11-7-6-10-15(17)16(18)13-19(2)12-14-8-4-5-9-14/h6-7,10-11,14,16H,3-5,8-9,12-13,18H2,1-2H3
InChIKeyRWDWPUAHBNYISZ-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.21
Rot. Bonds7

About N'-(cyclopentylmethyl)-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine

N'-(cyclopentylmethyl)-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine (PubChem CID 63632634) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N'-(cyclopentylmethyl)-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(cyclopentylmethyl)-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine
PubChem CID63632634
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN'-(cyclopentylmethyl)-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine
SMILESCCOc1ccccc1C(N)CN(C)CC1CCCC1
InChIInChI=1S/C17H28N2O/c1-3-20-17-11-7-6-10-15(17)16(18)13-19(2)12-14-8-4-5-9-14/h6-7,10-11,14,16H,3-5,8-9,12-13,18H2,1-2H3
InChIKeyRWDWPUAHBNYISZ-UHFFFAOYSA-N
XLogP3.21
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-cyclopentyl-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine
CID 43267133
N'-[2-(dimethylamino)ethyl]-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine
CID 55228302
1-(2-ethoxyphenyl)-N'-methyl-N'-(2-methylbutyl)ethane-1,2-diamine
CID 43295700
N'-cyclopropyl-1-(2-ethoxyphenyl)-N'-ethylethane-1,2-diamine
CID 43264145
1-(2-ethoxyphenyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 16788139
1-(2-ethoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanol
CID 63712480
2-(cyclopropylmethoxy)-1-(2-ethoxyphenyl)ethanamine
CID 43211702
1-(2-ethoxyphenyl)-N'-methyl-N'-pentan-3-ylethane-1,2-diamine
CID 43570986
(1R)-1-(2-ethoxyphenyl)-2-fluoroethanamine
CID 124705479
1-(2-methoxyphenyl)-N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 79313803
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
N'-ethyl-1-(2-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 43263333

Frequently Asked Questions

What is the IUPAC name of N'-(cyclopentylmethyl)-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-(cyclopentylmethyl)-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine (CID 63632634) is N'-(cyclopentylmethyl)-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-(cyclopentylmethyl)-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-(cyclopentylmethyl)-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine is CCOc1ccccc1C(N)CN(C)CC1CCCC1.
What is the InChIKey of N'-(cyclopentylmethyl)-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine?
The InChIKey is RWDWPUAHBNYISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-20-17-11-7-6-10-15(17)16(18)13-19(2)12-14-8-4-5-9-14/h6-7,10-11,14,16H,3-5,8-9,12-13,18H2,1-2H3.
What are the key properties of N'-(cyclopentylmethyl)-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine?
N'-(cyclopentylmethyl)-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine has a molecular weight of 276.42 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopentylmethyl)-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 63632634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).