1-N-ethyl-1-(2-methoxyphenyl)-1-N-propylbutane-1,2-diamine

C16H28N2O — CID 55021740

IUPAC1-N-ethyl-1-(2-methoxyphenyl)-1-N-propylbutane-1,2-diamine
SMILESCCCN(CC)C(c1ccccc1OC)C(N)CC
InChIInChI=1S/C16H28N2O/c1-5-12-18(7-3)16(14(17)6-2)13-10-8-9-11-15(13)19-4/h8-11,14,16H,5-7,12,17H2,1-4H3
InChIKeySBBSWTAYZHQUPR-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.21
Rot. Bonds8

About 1-N-ethyl-1-(2-methoxyphenyl)-1-N-propylbutane-1,2-diamine

1-N-ethyl-1-(2-methoxyphenyl)-1-N-propylbutane-1,2-diamine (PubChem CID 55021740) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-N-ethyl-1-(2-methoxyphenyl)-1-N-propylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-1-(2-methoxyphenyl)-1-N-propylbutane-1,2-diamine
PubChem CID55021740
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-N-ethyl-1-(2-methoxyphenyl)-1-N-propylbutane-1,2-diamine
SMILESCCCN(CC)C(c1ccccc1OC)C(N)CC
InChIInChI=1S/C16H28N2O/c1-5-12-18(7-3)16(14(17)6-2)13-10-8-9-11-15(13)19-4/h8-11,14,16H,5-7,12,17H2,1-4H3
InChIKeySBBSWTAYZHQUPR-UHFFFAOYSA-N
XLogP3.21
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

Analyze 1-N-ethyl-1-(2-methoxyphenyl)-1-N-propylbutane-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-1-(2-methoxyphenyl)-1-N-(2-methylbutyl)butane-1,2-diamine
CID 79481507
1-(2-bromophenyl)-1-N,1-N-dipropylbutane-1,2-diamine
CID 63406143
1-(2-methoxyphenyl)-1-N-methyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine
CID 81036559
(1R)-1-(2-methoxyphenyl)propan-1-amine;hydrochloride
CID 53484779
2-[[2-amino-1-(2-methoxyphenyl)butyl]-cyclobutylamino]ethanol
CID 102860441
3-[[2-amino-1-(2-fluorophenyl)butyl]-ethylamino]propanenitrile
CID 55019174
N'-ethyl-1,2-diphenyl-N'-propylethane-1,2-diamine
CID 43268684
1-N-ethyl-1-(2-fluorophenyl)-1-N-(2-methylpropyl)butane-1,2-diamine
CID 55019022
N'-butyl-N'-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 18070854
N'-ethyl-1-(2-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 43263333
1-(2-fluorophenyl)-1-N-methyl-1-N-propylbutane-1,2-diamine
CID 55018970
3-amino-4-[ethyl-[(1S)-1-(2-methoxyphenyl)ethyl]amino]butan-1-ol
CID 66916342

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-1-(2-methoxyphenyl)-1-N-propylbutane-1,2-diamine?
The IUPAC name of 1-N-ethyl-1-(2-methoxyphenyl)-1-N-propylbutane-1,2-diamine (CID 55021740) is 1-N-ethyl-1-(2-methoxyphenyl)-1-N-propylbutane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-1-(2-methoxyphenyl)-1-N-propylbutane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-1-(2-methoxyphenyl)-1-N-propylbutane-1,2-diamine is CCCN(CC)C(c1ccccc1OC)C(N)CC.
What is the InChIKey of 1-N-ethyl-1-(2-methoxyphenyl)-1-N-propylbutane-1,2-diamine?
The InChIKey is SBBSWTAYZHQUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-12-18(7-3)16(14(17)6-2)13-10-8-9-11-15(13)19-4/h8-11,14,16H,5-7,12,17H2,1-4H3.
What are the key properties of 1-N-ethyl-1-(2-methoxyphenyl)-1-N-propylbutane-1,2-diamine?
1-N-ethyl-1-(2-methoxyphenyl)-1-N-propylbutane-1,2-diamine has a molecular weight of 264.41 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-1-(2-methoxyphenyl)-1-N-propylbutane-1,2-diamine is sourced from PubChem (CID 55021740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).