2-N-ethyl-1-N-[(2-methoxyphenyl)methyl]-1-N-methylpentane-1,2-diamine

C16H28N2O — CID 62043369

IUPAC2-N-ethyl-1-N-[(2-methoxyphenyl)methyl]-1-N-methylpentane-1,2-diamine
SMILESCCCC(CN(C)Cc1ccccc1OC)NCC
InChIInChI=1S/C16H28N2O/c1-5-9-15(17-6-2)13-18(3)12-14-10-7-8-11-16(14)19-4/h7-8,10-11,15,17H,5-6,9,12-13H2,1-4H3
InChIKeyMCPCEPZYZDXJKM-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.91
Rot. Bonds9

About 2-N-ethyl-1-N-[(2-methoxyphenyl)methyl]-1-N-methylpentane-1,2-diamine

2-N-ethyl-1-N-[(2-methoxyphenyl)methyl]-1-N-methylpentane-1,2-diamine (PubChem CID 62043369) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-N-ethyl-1-N-[(2-methoxyphenyl)methyl]-1-N-methylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-1-N-[(2-methoxyphenyl)methyl]-1-N-methylpentane-1,2-diamine
PubChem CID62043369
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-N-ethyl-1-N-[(2-methoxyphenyl)methyl]-1-N-methylpentane-1,2-diamine
SMILESCCCC(CN(C)Cc1ccccc1OC)NCC
InChIInChI=1S/C16H28N2O/c1-5-9-15(17-6-2)13-18(3)12-14-10-7-8-11-16(14)19-4/h7-8,10-11,15,17H,5-6,9,12-13H2,1-4H3
InChIKeyMCPCEPZYZDXJKM-UHFFFAOYSA-N
XLogP2.91
TPSA24.50 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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N-ethyl-1-N-[(2-methoxyphenyl)methyl]-1-N-methylpentane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-ethyl-2-N-[(2-methoxyphenyl)methyl]-2-N-methylpentane-1,2-diamine
CID 83054110
2,2-diethoxy-N-[(2-methoxyphenyl)methyl]-N-methylethanamine
CID 63619044
1-N-(2-methoxyphenyl)-1-N-methyl-2-N-propylpentane-1,2-diamine
CID 62041445
3,3-diethoxy-N-[(2-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 63628429
1-N-[(2-methoxyphenyl)methyl]-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine
CID 66453642
N-ethyl-1-(2-methoxyphenyl)-3-phenylpropan-2-amine
CID 61263100
1-N-[(2-ethoxyphenyl)methyl]-1-N,2-N-dimethylbutane-1,2-diamine
CID 70907000
N'-[(2-methoxyphenyl)methyl]-N'-methyl-N-propan-2-ylpropane-1,3-diamine
CID 55070560
6-[(2-methoxyphenyl)methyl-methylamino]hexan-3-ol
CID 106802333
2-bromo-N-[(2-methoxyphenyl)methyl]-N-methylethanamine
CID 61417709
N-ethyl-2-(2-methoxyphenyl)hexan-3-amine
CID 83050697
1-(4-fluorophenoxy)-3-[(2-methoxyphenyl)methyl-methylamino]propan-2-ol
CID 110877418

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-1-N-[(2-methoxyphenyl)methyl]-1-N-methylpentane-1,2-diamine?
The IUPAC name of 2-N-ethyl-1-N-[(2-methoxyphenyl)methyl]-1-N-methylpentane-1,2-diamine (CID 62043369) is 2-N-ethyl-1-N-[(2-methoxyphenyl)methyl]-1-N-methylpentane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-1-N-[(2-methoxyphenyl)methyl]-1-N-methylpentane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-1-N-[(2-methoxyphenyl)methyl]-1-N-methylpentane-1,2-diamine is CCCC(CN(C)Cc1ccccc1OC)NCC.
What is the InChIKey of 2-N-ethyl-1-N-[(2-methoxyphenyl)methyl]-1-N-methylpentane-1,2-diamine?
The InChIKey is MCPCEPZYZDXJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-9-15(17-6-2)13-18(3)12-14-10-7-8-11-16(14)19-4/h7-8,10-11,15,17H,5-6,9,12-13H2,1-4H3.
What are the key properties of 2-N-ethyl-1-N-[(2-methoxyphenyl)methyl]-1-N-methylpentane-1,2-diamine?
2-N-ethyl-1-N-[(2-methoxyphenyl)methyl]-1-N-methylpentane-1,2-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.91, 9 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-[(2-methoxyphenyl)methyl]-1-N-methylpentane-1,2-diamine is sourced from PubChem (CID 62043369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).