N'-(2,3-dimethoxypropyl)-1-phenylpropane-1,3-diamine

C14H24N2O2 — CID 114100553

IUPACN'-(2,3-dimethoxypropyl)-1-phenylpropane-1,3-diamine
SMILESCOCC(CNCCC(N)c1ccccc1)OC
InChIInChI=1S/C14H24N2O2/c1-17-11-13(18-2)10-16-9-8-14(15)12-6-4-3-5-7-12/h3-7,13-14,16H,8-11,15H2,1-2H3
InChIKeyJDNZOIJYCULKFH-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.33
Rot. Bonds9

About N'-(2,3-dimethoxypropyl)-1-phenylpropane-1,3-diamine

N'-(2,3-dimethoxypropyl)-1-phenylpropane-1,3-diamine (PubChem CID 114100553) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N'-(2,3-dimethoxypropyl)-1-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(2,3-dimethoxypropyl)-1-phenylpropane-1,3-diamine
PubChem CID114100553
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN'-(2,3-dimethoxypropyl)-1-phenylpropane-1,3-diamine
SMILESCOCC(CNCCC(N)c1ccccc1)OC
InChIInChI=1S/C14H24N2O2/c1-17-11-13(18-2)10-16-9-8-14(15)12-6-4-3-5-7-12/h3-7,13-14,16H,8-11,15H2,1-2H3
InChIKeyJDNZOIJYCULKFH-UHFFFAOYSA-N
XLogP1.33
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-(2,3-dimethoxypropyl)-1-phenylpropane-1,3-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

N'-(2-methoxypropyl)-1-phenylpropane-1,3-diamine
CID 102698624
2,3-dimethoxy-N-(2-phenylpropyl)propan-1-amine
CID 107095421
(1R)-2-methoxy-1-phenylethanamine
CID 11019045
N-(2,3-dimethoxypropyl)-1-phenylbutan-1-amine
CID 113368973
1-methoxy-4-(2-phenylpropylamino)butan-2-ol
CID 107095218
N-(3-amino-3-phenylpropyl)-2-methoxyethanesulfonamide
CID 80506787
N'-(7-methyloctyl)-1-phenylpropane-1,3-diamine
CID 107815640
N-[(2-ethylphenyl)methyl]-2,3-dimethoxypropan-1-amine
CID 114099391
3-methoxy-2-phenyl-N-propylpropan-1-amine
CID 103984694
3-[(3-hydroxy-4-methoxybutyl)amino]-2-phenylpropanenitrile
CID 106246789
3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-3-phenylpropanamide
CID 106161030
3-methyl-N-(2-phenylpropyl)butan-1-amine
CID 17207090

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dimethoxypropyl)-1-phenylpropane-1,3-diamine?
The IUPAC name of N'-(2,3-dimethoxypropyl)-1-phenylpropane-1,3-diamine (CID 114100553) is N'-(2,3-dimethoxypropyl)-1-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-(2,3-dimethoxypropyl)-1-phenylpropane-1,3-diamine?
The canonical SMILES for N'-(2,3-dimethoxypropyl)-1-phenylpropane-1,3-diamine is COCC(CNCCC(N)c1ccccc1)OC.
What is the InChIKey of N'-(2,3-dimethoxypropyl)-1-phenylpropane-1,3-diamine?
The InChIKey is JDNZOIJYCULKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-17-11-13(18-2)10-16-9-8-14(15)12-6-4-3-5-7-12/h3-7,13-14,16H,8-11,15H2,1-2H3.
What are the key properties of N'-(2,3-dimethoxypropyl)-1-phenylpropane-1,3-diamine?
N'-(2,3-dimethoxypropyl)-1-phenylpropane-1,3-diamine has a molecular weight of 252.36 g/mol, XLogP of 1.33, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dimethoxypropyl)-1-phenylpropane-1,3-diamine is sourced from PubChem (CID 114100553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).