N'-benzyl-N'-(4-ethoxyphenyl)-N,N-dimethylpropane-1,3-diamine

C20H28N2O — CID 24843292

IUPACN'-benzyl-N'-(4-ethoxyphenyl)-N,N-dimethylpropane-1,3-diamine
SMILESCCOc1ccc(N(CCCN(C)C)Cc2ccccc2)cc1
InChIInChI=1S/C20H28N2O/c1-4-23-20-13-11-19(12-14-20)22(16-8-15-21(2)3)17-18-9-6-5-7-10-18/h5-7,9-14H,4,8,15-17H2,1-3H3
InChIKeyWHUBFRROLIIXLC-UHFFFAOYSA-N
MW312.46 g/mol
LogP4.04
Rot. Bonds9

About N'-benzyl-N'-(4-ethoxyphenyl)-N,N-dimethylpropane-1,3-diamine

N'-benzyl-N'-(4-ethoxyphenyl)-N,N-dimethylpropane-1,3-diamine (PubChem CID 24843292) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is N'-benzyl-N'-(4-ethoxyphenyl)-N,N-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-(4-ethoxyphenyl)-N,N-dimethylpropane-1,3-diamine
PubChem CID24843292
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC NameN'-benzyl-N'-(4-ethoxyphenyl)-N,N-dimethylpropane-1,3-diamine
SMILESCCOc1ccc(N(CCCN(C)C)Cc2ccccc2)cc1
InChIInChI=1S/C20H28N2O/c1-4-23-20-13-11-19(12-14-20)22(16-8-15-21(2)3)17-18-9-6-5-7-10-18/h5-7,9-14H,4,8,15-17H2,1-3H3
InChIKeyWHUBFRROLIIXLC-UHFFFAOYSA-N
XLogP4.04
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-[N-[3-(dimethylamino)propyl]-4-ethoxyanilino]propanoic acid
CID 82319961
N-benzyl-N-(2-ethoxyethyl)-4-methoxyaniline
CID 78826514
N,N-dimethyl-3-phenoxypropan-1-amine;N,N-dimethyl-1-phenylmethanamine;ethane
CID 166529218
4-ethoxy-N-(4-ethoxyphenyl)-N-phenylaniline
CID 18996804
3-(3-ethoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170865322
N-benzyl-N-(2-ethoxyethyl)aniline
CID 57253291
N-benzyl-N-propylaniline
CID 14671265
3-(N-acetyl-4-ethoxyanilino)-N-benzyl-N-methylpropanamide
CID 113129400
4-[deuterio(phenyl)methoxy]-N,N-dimethylaniline
CID 132549662
(E)-but-2-enedioic acid;N-[3-(dimethylamino)propyl]-N-(4-ethoxyphenyl)acetamide
CID 24832558
1-benzyl-3-(4-ethoxyphenyl)-1-methylthiourea
CID 4666510
4-ethoxy-N,N-dimethylaniline
CID 3624890

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-(4-ethoxyphenyl)-N,N-dimethylpropane-1,3-diamine?
The IUPAC name of N'-benzyl-N'-(4-ethoxyphenyl)-N,N-dimethylpropane-1,3-diamine (CID 24843292) is N'-benzyl-N'-(4-ethoxyphenyl)-N,N-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-benzyl-N'-(4-ethoxyphenyl)-N,N-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-benzyl-N'-(4-ethoxyphenyl)-N,N-dimethylpropane-1,3-diamine is CCOc1ccc(N(CCCN(C)C)Cc2ccccc2)cc1.
What is the InChIKey of N'-benzyl-N'-(4-ethoxyphenyl)-N,N-dimethylpropane-1,3-diamine?
The InChIKey is WHUBFRROLIIXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c1-4-23-20-13-11-19(12-14-20)22(16-8-15-21(2)3)17-18-9-6-5-7-10-18/h5-7,9-14H,4,8,15-17H2,1-3H3.
What are the key properties of N'-benzyl-N'-(4-ethoxyphenyl)-N,N-dimethylpropane-1,3-diamine?
N'-benzyl-N'-(4-ethoxyphenyl)-N,N-dimethylpropane-1,3-diamine has a molecular weight of 312.46 g/mol, XLogP of 4.04, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-(4-ethoxyphenyl)-N,N-dimethylpropane-1,3-diamine is sourced from PubChem (CID 24843292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).