N,N'-bis[(1S)-1-(4-methoxyphenyl)propyl]-N,N'-dimethylmethanediamine

C23H34N2O2 — CID 7108155

IUPACN,N'-bis[(1S)-1-(4-methoxyphenyl)propyl]-N,N'-dimethylmethanediamine
SMILESCC[C@@H](c1ccc(OC)cc1)N(C)CN(C)[C@@H](CC)c1ccc(OC)cc1
InChIInChI=1S/C23H34N2O2/c1-7-22(18-9-13-20(26-5)14-10-18)24(3)17-25(4)23(8-2)19-11-15-21(27-6)16-12-19/h9-16,22-23H,7-8,17H2,1-6H3/t22-,23-/m0/s1
InChIKeyYXAIRMNQLUEZSJ-GOTSBHOMSA-N
MW370.54 g/mol
LogP5.13
Rot. Bonds10

About N,N'-bis[(1S)-1-(4-methoxyphenyl)propyl]-N,N'-dimethylmethanediamine

N,N'-bis[(1S)-1-(4-methoxyphenyl)propyl]-N,N'-dimethylmethanediamine (PubChem CID 7108155) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is N,N'-bis[(1S)-1-(4-methoxyphenyl)propyl]-N,N'-dimethylmethanediamine.

Molecular Properties

Compound NameN,N'-bis[(1S)-1-(4-methoxyphenyl)propyl]-N,N'-dimethylmethanediamine
PubChem CID7108155
Molecular FormulaC23H34N2O2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC NameN,N'-bis[(1S)-1-(4-methoxyphenyl)propyl]-N,N'-dimethylmethanediamine
SMILESCC[C@@H](c1ccc(OC)cc1)N(C)CN(C)[C@@H](CC)c1ccc(OC)cc1
InChIInChI=1S/C23H34N2O2/c1-7-22(18-9-13-20(26-5)14-10-18)24(3)17-25(4)23(8-2)19-11-15-21(27-6)16-12-19/h9-16,22-23H,7-8,17H2,1-6H3/t22-,23-/m0/s1
InChIKeyYXAIRMNQLUEZSJ-GOTSBHOMSA-N
XLogP5.13
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.54
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N,N'-bis[(1S)-1-(4-methoxyphenyl)propyl]-N,N'-dimethylmethanediamine 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'-[(1S)-1-(4-methoxyphenyl)propyl]-N'-methylethane-1,2-diamine
CID 94548212
1-(4-methoxyphenyl)-N-methyl-N-pentan-3-ylethane-1,2-diamine
CID 43570775
1-(4-methoxyphenyl)-N,N,3,3-tetramethylbutan-1-amine
CID 58442303
[(1R)-1-(4-methoxyphenyl)propyl]azanium
CID 2496559
1-methoxy-4-(3-methylpentan-2-yl)benzene
CID 138976766
N-[(1R)-1-(4-methoxyphenyl)propyl]-N,2-dimethylfuran-3-carboxamide
CID 95200609
1-(4-methoxyphenyl)-N,N-dimethyl-2-phenylethanamine
CID 24838118
N-ethyl-N-(2-ethylbutyl)-1-(4-methoxyphenyl)ethane-1,2-diamine
CID 61437202
1-[(1S,4R)-1,4-dichloro-4-(4-methoxyphenyl)butyl]-4-methoxybenzene
CID 125465408
N-[1-(4-methoxyphenyl)propyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 51252930
(1R)-1-(4-methoxyphenyl)-2-methylbutan-1-amine
CID 171200898
1-methoxy-4-[1-[2-(4-methoxyphenyl)butoxy]butan-2-yl]benzene
CID 139824565

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(1S)-1-(4-methoxyphenyl)propyl]-N,N'-dimethylmethanediamine?
The IUPAC name of N,N'-bis[(1S)-1-(4-methoxyphenyl)propyl]-N,N'-dimethylmethanediamine (CID 7108155) is N,N'-bis[(1S)-1-(4-methoxyphenyl)propyl]-N,N'-dimethylmethanediamine.
What is the SMILES notation for N,N'-bis[(1S)-1-(4-methoxyphenyl)propyl]-N,N'-dimethylmethanediamine?
The canonical SMILES for N,N'-bis[(1S)-1-(4-methoxyphenyl)propyl]-N,N'-dimethylmethanediamine is CC[C@@H](c1ccc(OC)cc1)N(C)CN(C)[C@@H](CC)c1ccc(OC)cc1.
What is the InChIKey of N,N'-bis[(1S)-1-(4-methoxyphenyl)propyl]-N,N'-dimethylmethanediamine?
The InChIKey is YXAIRMNQLUEZSJ-GOTSBHOMSA-N. The full InChI is InChI=1S/C23H34N2O2/c1-7-22(18-9-13-20(26-5)14-10-18)24(3)17-25(4)23(8-2)19-11-15-21(27-6)16-12-19/h9-16,22-23H,7-8,17H2,1-6H3/t22-,23-/m0/s1.
What are the key properties of N,N'-bis[(1S)-1-(4-methoxyphenyl)propyl]-N,N'-dimethylmethanediamine?
N,N'-bis[(1S)-1-(4-methoxyphenyl)propyl]-N,N'-dimethylmethanediamine has a molecular weight of 370.54 g/mol, XLogP of 5.13, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(1S)-1-(4-methoxyphenyl)propyl]-N,N'-dimethylmethanediamine is sourced from PubChem (CID 7108155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).