N'-butyl-N'-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine

C15H26N2O — CID 18070854

IUPACN'-butyl-N'-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine
SMILESCCCCN(CC)CC(N)c1ccccc1OC
InChIInChI=1S/C15H26N2O/c1-4-6-11-17(5-2)12-14(16)13-9-7-8-10-15(13)18-3/h7-10,14H,4-6,11-12,16H2,1-3H3
InChIKeyLLFAGXHNXFLWCM-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.82
Rot. Bonds8

About N'-butyl-N'-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine

N'-butyl-N'-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine (PubChem CID 18070854) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N'-butyl-N'-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-butyl-N'-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine
PubChem CID18070854
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN'-butyl-N'-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine
SMILESCCCCN(CC)CC(N)c1ccccc1OC
InChIInChI=1S/C15H26N2O/c1-4-6-11-17(5-2)12-14(16)13-9-7-8-10-15(13)18-3/h7-10,14H,4-6,11-12,16H2,1-3H3
InChIKeyLLFAGXHNXFLWCM-UHFFFAOYSA-N
XLogP2.82
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N',N'-dibutyl-1-(2-ethoxyphenyl)ethane-1,2-diamine
CID 43125934
N'-ethyl-1-(2-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 43263333
1-[2-(difluoromethoxy)phenyl]-N',N'-dipropylethane-1,2-diamine
CID 16794692
1-N-ethyl-1-N-[(2-methoxyphenyl)methyl]hexane-1,2-diamine
CID 91088877
(1R)-1-(2-methoxyphenyl)propan-1-amine;hydrochloride
CID 53484779
1-[butyl(ethyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 4966118
N'-(2-amino-2-phenylethyl)-N,N,N'-triethylpropane-1,3-diamine
CID 102992514
N'-[(2S)-2-amino-2-phenylethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 112737155
N'-butyl-N'-ethyl-1-(2-methylphenyl)propane-1,3-diamine
CID 55098165
1-(2-aminophenyl)-2-[butyl(ethyl)amino]ethanol
CID 62264739
N'-ethyl-N'-(2-methoxyethyl)-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 107520238
N-butyl-N-[3-(2-methoxyphenoxy)propyl]butan-1-amine
CID 5262106

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N'-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N'-butyl-N'-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine (CID 18070854) is N'-butyl-N'-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-butyl-N'-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-butyl-N'-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine is CCCCN(CC)CC(N)c1ccccc1OC.
What is the InChIKey of N'-butyl-N'-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine?
The InChIKey is LLFAGXHNXFLWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-6-11-17(5-2)12-14(16)13-9-7-8-10-15(13)18-3/h7-10,14H,4-6,11-12,16H2,1-3H3.
What are the key properties of N'-butyl-N'-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine?
N'-butyl-N'-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N'-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 18070854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).