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

C16H26N2O — CID 43267133

IUPACN'-cyclopentyl-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine
SMILESCCOc1ccccc1C(N)CN(C)C1CCCC1
InChIInChI=1S/C16H26N2O/c1-3-19-16-11-7-6-10-14(16)15(17)12-18(2)13-8-4-5-9-13/h6-7,10-11,13,15H,3-5,8-9,12,17H2,1-2H3
InChIKeyWLIQBQYTGZKFSF-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.96
Rot. Bonds6

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

N'-cyclopentyl-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine (PubChem CID 43267133) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N'-cyclopentyl-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine
PubChem CID43267133
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN'-cyclopentyl-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine
SMILESCCOc1ccccc1C(N)CN(C)C1CCCC1
InChIInChI=1S/C16H26N2O/c1-3-19-16-11-7-6-10-14(16)15(17)12-18(2)13-8-4-5-9-13/h6-7,10-11,13,15H,3-5,8-9,12,17H2,1-2H3
InChIKeyWLIQBQYTGZKFSF-UHFFFAOYSA-N
XLogP2.96
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(cyclopentylmethyl)-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine
CID 63632634
N'-cyclopropyl-1-(2-ethoxyphenyl)-N'-ethylethane-1,2-diamine
CID 43264145
(1R)-1-(2-ethoxyphenyl)-2-fluoroethanamine
CID 124705479
N'-cycloheptyl-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 43614010
N'-cyclohexyl-1-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 16786425
1-(2-ethoxyphenyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 16788139
1-(2-ethoxyphenyl)-N'-methyl-N'-pentan-3-ylethane-1,2-diamine
CID 43570986
1-(2-methoxyphenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 62545528
1-(2-ethoxyphenyl)-N'-methyl-N'-(2-methylbutyl)ethane-1,2-diamine
CID 43295700
N'-[2-(dimethylamino)ethyl]-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine
CID 55228302
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
N',N'-dibutyl-1-(2-ethoxyphenyl)ethane-1,2-diamine
CID 43125934

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-cyclopentyl-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine (CID 43267133) is N'-cyclopentyl-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-cyclopentyl-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-cyclopentyl-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine is CCOc1ccccc1C(N)CN(C)C1CCCC1.
What is the InChIKey of N'-cyclopentyl-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine?
The InChIKey is WLIQBQYTGZKFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-19-16-11-7-6-10-14(16)15(17)12-18(2)13-8-4-5-9-13/h6-7,10-11,13,15H,3-5,8-9,12,17H2,1-2H3.
What are the key properties of N'-cyclopentyl-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine?
N'-cyclopentyl-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 43267133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).