N'-benzyl-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine

C19H26N2 — CID 62613091

IUPACN'-benzyl-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine
SMILESCCNC(CCN(C)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H26N2/c1-3-20-19(18-12-8-5-9-13-18)14-15-21(2)16-17-10-6-4-7-11-17/h4-13,19-20H,3,14-16H2,1-2H3
InChIKeyIOSURARDAGJHMS-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.86
Rot. Bonds8

About N'-benzyl-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine

N'-benzyl-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine (PubChem CID 62613091) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N'-benzyl-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-benzyl-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine
PubChem CID62613091
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC NameN'-benzyl-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine
SMILESCCNC(CCN(C)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H26N2/c1-3-20-19(18-12-8-5-9-13-18)14-15-21(2)16-17-10-6-4-7-11-17/h4-13,19-20H,3,14-16H2,1-2H3
InChIKeyIOSURARDAGJHMS-UHFFFAOYSA-N
XLogP3.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N'-methyl-1-phenyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62612447
N'-[(5-bromothiophen-3-yl)methyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine
CID 62612461
N'-[2-(dimethylamino)ethyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine
CID 63700866
N'-[3-(dimethylamino)propyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine
CID 63699665
N-ethyl-N'-methyl-1-phenyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine
CID 79490107
N'-methyl-1-phenyl-N-propyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62612607
1-N-benzyl-4-N-ethyl-1-N-methylhexane-1,4-diamine
CID 106799242
(3R)-N-benzyl-N-methyl-3-phenylbutan-1-amine;hydrate
CID 66524871
N'-ethyl-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine
CID 62611599
N,N'-dimethyl-N'-[(3-methylphenyl)methyl]-1-phenylpropane-1,3-diamine
CID 62613615
N'-cyclopropyl-N-ethyl-1-phenyl-N'-propylpropane-1,3-diamine
CID 62612116
N-ethyl-N'-(3-fluorophenyl)-N'-methyl-1-phenylpropane-1,3-diamine
CID 62613117

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine?
The IUPAC name of N'-benzyl-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine (CID 62613091) is N'-benzyl-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-benzyl-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine?
The canonical SMILES for N'-benzyl-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine is CCNC(CCN(C)Cc1ccccc1)c1ccccc1.
What is the InChIKey of N'-benzyl-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine?
The InChIKey is IOSURARDAGJHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-3-20-19(18-12-8-5-9-13-18)14-15-21(2)16-17-10-6-4-7-11-17/h4-13,19-20H,3,14-16H2,1-2H3.
What are the key properties of N'-benzyl-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine?
N'-benzyl-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine has a molecular weight of 282.43 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine is sourced from PubChem (CID 62613091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).