1-(4-ethoxyphenyl)-N'-methyl-N'-pentylethane-1,2-diamine

C16H28N2O — CID 43294826

IUPAC1-(4-ethoxyphenyl)-N'-methyl-N'-pentylethane-1,2-diamine
SMILESCCCCCN(C)CC(N)c1ccc(OCC)cc1
InChIInChI=1S/C16H28N2O/c1-4-6-7-12-18(3)13-16(17)14-8-10-15(11-9-14)19-5-2/h8-11,16H,4-7,12-13,17H2,1-3H3
InChIKeyIVARHHBUMBXFGB-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.21
Rot. Bonds9

About 1-(4-ethoxyphenyl)-N'-methyl-N'-pentylethane-1,2-diamine

1-(4-ethoxyphenyl)-N'-methyl-N'-pentylethane-1,2-diamine (PubChem CID 43294826) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N'-methyl-N'-pentylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N'-methyl-N'-pentylethane-1,2-diamine
PubChem CID43294826
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-(4-ethoxyphenyl)-N'-methyl-N'-pentylethane-1,2-diamine
SMILESCCCCCN(C)CC(N)c1ccc(OCC)cc1
InChIInChI=1S/C16H28N2O/c1-4-6-7-12-18(3)13-16(17)14-8-10-15(11-9-14)19-5-2/h8-11,16H,4-7,12-13,17H2,1-3H3
InChIKeyIVARHHBUMBXFGB-UHFFFAOYSA-N
XLogP3.21
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(2-ethoxyethyl)-N'-methyl-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 81055375
N'-methyl-N'-(3-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 61429545
1-(3,4-dimethylphenyl)-N'-methyl-N'-pentylethane-1,2-diamine
CID 43294808
(1S)-1-(4-ethoxyphenyl)pentan-1-amine;hydrochloride
CID 171220237
N'-butyl-N'-methyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 43105672
1-(4-ethoxyphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 112517875
N-[2-(4-ethoxyphenyl)ethyl]-N-methylpentan-1-amine
CID 173290456
ethane;N-[(4-ethoxyphenyl)methyl]-N-methylheptan-1-amine
CID 156653185
N'-methyl-1-naphthalen-1-yl-N'-pentylethane-1,2-diamine
CID 43294791
N',N'-dimethyl-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 16784602
N'-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63693996
(1S)-1-(4-octoxyphenyl)propan-1-amine
CID 78944099

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N'-methyl-N'-pentylethane-1,2-diamine?
The IUPAC name of 1-(4-ethoxyphenyl)-N'-methyl-N'-pentylethane-1,2-diamine (CID 43294826) is 1-(4-ethoxyphenyl)-N'-methyl-N'-pentylethane-1,2-diamine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N'-methyl-N'-pentylethane-1,2-diamine?
The canonical SMILES for 1-(4-ethoxyphenyl)-N'-methyl-N'-pentylethane-1,2-diamine is CCCCCN(C)CC(N)c1ccc(OCC)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N'-methyl-N'-pentylethane-1,2-diamine?
The InChIKey is IVARHHBUMBXFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-4-6-7-12-18(3)13-16(17)14-8-10-15(11-9-14)19-5-2/h8-11,16H,4-7,12-13,17H2,1-3H3.
What are the key properties of 1-(4-ethoxyphenyl)-N'-methyl-N'-pentylethane-1,2-diamine?
1-(4-ethoxyphenyl)-N'-methyl-N'-pentylethane-1,2-diamine has a molecular weight of 264.41 g/mol, XLogP of 3.21, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N'-methyl-N'-pentylethane-1,2-diamine is sourced from PubChem (CID 43294826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).