N'-benzyl-N'-ethyl-2-phenylpropane-1,3-diamine

C18H24N2 — CID 43532152

IUPACN'-benzyl-N'-ethyl-2-phenylpropane-1,3-diamine
SMILESCCN(Cc1ccccc1)CC(CN)c1ccccc1
InChIInChI=1S/C18H24N2/c1-2-20(14-16-9-5-3-6-10-16)15-18(13-19)17-11-7-4-8-12-17/h3-12,18H,2,13-15,19H2,1H3
InChIKeyJBMXRPPBKQMNLU-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.25
Rot. Bonds7

About N'-benzyl-N'-ethyl-2-phenylpropane-1,3-diamine

N'-benzyl-N'-ethyl-2-phenylpropane-1,3-diamine (PubChem CID 43532152) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N'-benzyl-N'-ethyl-2-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-ethyl-2-phenylpropane-1,3-diamine
PubChem CID43532152
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC NameN'-benzyl-N'-ethyl-2-phenylpropane-1,3-diamine
SMILESCCN(Cc1ccccc1)CC(CN)c1ccccc1
InChIInChI=1S/C18H24N2/c1-2-20(14-16-9-5-3-6-10-16)15-18(13-19)17-11-7-4-8-12-17/h3-12,18H,2,13-15,19H2,1H3
InChIKeyJBMXRPPBKQMNLU-UHFFFAOYSA-N
XLogP3.25
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N',N'-diethyl-2-phenylpropane-1,3-diamine
CID 43532107
N'-benzyl-N'-ethyl-1-phenylethane-1,2-diamine
CID 43126115
N'-benzyl-N'-ethyl-2-(trifluoromethyl)propane-1,3-diamine
CID 103366107
2-[(3-amino-2-phenylpropyl)-ethylamino]-N,N-dimethylacetamide
CID 43588516
(2S)-1-N-benzyl-1-N-ethyl-3,3-dimethylbutane-1,2-diamine
CID 130522054
2-[(3-amino-2-phenylpropyl)-(2-hydroxyethyl)amino]ethanol
CID 61242461
N',N'-diethyl-2-pyridin-4-ylpropane-1,3-diamine
CID 82107787
N'-ethyl-N'-(oxolan-2-ylmethyl)-2-phenylpropane-1,3-diamine
CID 61433987
N-benzyl-N-ethylethanamine;methanethiol
CID 142975470
N-benzyl-N-ethylethanamine;ethene
CID 174895763
(2R)-3-[benzyl(ethyl)amino]-2-methylpropanenitrile
CID 39161374
N'-benzyl-N'-(2,2-diphenylethyl)ethane-1,2-diamine
CID 23995073

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-ethyl-2-phenylpropane-1,3-diamine?
The IUPAC name of N'-benzyl-N'-ethyl-2-phenylpropane-1,3-diamine (CID 43532152) is N'-benzyl-N'-ethyl-2-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-benzyl-N'-ethyl-2-phenylpropane-1,3-diamine?
The canonical SMILES for N'-benzyl-N'-ethyl-2-phenylpropane-1,3-diamine is CCN(Cc1ccccc1)CC(CN)c1ccccc1.
What is the InChIKey of N'-benzyl-N'-ethyl-2-phenylpropane-1,3-diamine?
The InChIKey is JBMXRPPBKQMNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-2-20(14-16-9-5-3-6-10-16)15-18(13-19)17-11-7-4-8-12-17/h3-12,18H,2,13-15,19H2,1H3.
What are the key properties of N'-benzyl-N'-ethyl-2-phenylpropane-1,3-diamine?
N'-benzyl-N'-ethyl-2-phenylpropane-1,3-diamine has a molecular weight of 268.40 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-ethyl-2-phenylpropane-1,3-diamine is sourced from PubChem (CID 43532152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).