2-N-ethyl-1-N-(3-methoxyphenyl)-1-N-methylpentane-1,2-diamine

C15H26N2O — CID 62041659

IUPAC2-N-ethyl-1-N-(3-methoxyphenyl)-1-N-methylpentane-1,2-diamine
SMILESCCCC(CN(C)c1cccc(OC)c1)NCC
InChIInChI=1S/C15H26N2O/c1-5-8-13(16-6-2)12-17(3)14-9-7-10-15(11-14)18-4/h7,9-11,13,16H,5-6,8,12H2,1-4H3
InChIKeyQYGTYKMZHSPGNN-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.91
Rot. Bonds8

About 2-N-ethyl-1-N-(3-methoxyphenyl)-1-N-methylpentane-1,2-diamine

2-N-ethyl-1-N-(3-methoxyphenyl)-1-N-methylpentane-1,2-diamine (PubChem CID 62041659) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-N-ethyl-1-N-(3-methoxyphenyl)-1-N-methylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-1-N-(3-methoxyphenyl)-1-N-methylpentane-1,2-diamine
PubChem CID62041659
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-N-ethyl-1-N-(3-methoxyphenyl)-1-N-methylpentane-1,2-diamine
SMILESCCCC(CN(C)c1cccc(OC)c1)NCC
InChIInChI=1S/C15H26N2O/c1-5-8-13(16-6-2)12-17(3)14-9-7-10-15(11-14)18-4/h7,9-11,13,16H,5-6,8,12H2,1-4H3
InChIKeyQYGTYKMZHSPGNN-UHFFFAOYSA-N
XLogP2.91
TPSA24.50 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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-methoxy-N-methylaniline
CID 67357774
(2S)-1-N-(3-methoxyphenyl)-1-N-methylpropane-1,2-diamine
CID 28772492
2-N-ethyl-1-N-(3-methoxyphenyl)-1-N,2-dimethylpropane-1,2-diamine
CID 62836361
3-(N,3-dimethylanilino)-2-(ethylamino)propan-1-ol
CID 64789932
5-methoxy-1-N-(3-methoxyphenyl)-1-N-methylpentane-1,2-diamine
CID 81101880
1-cyclohexyl-N'-(3-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine
CID 104745745
1-N-[(3-methoxyphenyl)methyl]-1-N,2-N-dimethylpentane-1,2-diamine
CID 62042937
N-hexan-3-yl-3-methoxyaniline
CID 115916725
N-[2-(3-methoxyphenyl)ethyl]heptan-4-amine
CID 103729443
2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine
CID 83042805
ethyl 2-amino-4-(3-methoxy-N-methylanilino)butanoate
CID 63055390
1-N-(3-methoxyphenyl)-1-N-methyl-3-phenylpropane-1,2-diamine
CID 62004171

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-1-N-(3-methoxyphenyl)-1-N-methylpentane-1,2-diamine?
The IUPAC name of 2-N-ethyl-1-N-(3-methoxyphenyl)-1-N-methylpentane-1,2-diamine (CID 62041659) is 2-N-ethyl-1-N-(3-methoxyphenyl)-1-N-methylpentane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-1-N-(3-methoxyphenyl)-1-N-methylpentane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-1-N-(3-methoxyphenyl)-1-N-methylpentane-1,2-diamine is CCCC(CN(C)c1cccc(OC)c1)NCC.
What is the InChIKey of 2-N-ethyl-1-N-(3-methoxyphenyl)-1-N-methylpentane-1,2-diamine?
The InChIKey is QYGTYKMZHSPGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-8-13(16-6-2)12-17(3)14-9-7-10-15(11-14)18-4/h7,9-11,13,16H,5-6,8,12H2,1-4H3.
What are the key properties of 2-N-ethyl-1-N-(3-methoxyphenyl)-1-N-methylpentane-1,2-diamine?
2-N-ethyl-1-N-(3-methoxyphenyl)-1-N-methylpentane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-1-N-(3-methoxyphenyl)-1-N-methylpentane-1,2-diamine is sourced from PubChem (CID 62041659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).