N'-benzyl-N'-ethyl-1-phenylethane-1,2-diamine

C17H22N2 — CID 43126115

IUPACN'-benzyl-N'-ethyl-1-phenylethane-1,2-diamine
SMILESCCN(Cc1ccccc1)CC(N)c1ccccc1
InChIInChI=1S/C17H22N2/c1-2-19(13-15-9-5-3-6-10-15)14-17(18)16-11-7-4-8-12-16/h3-12,17H,2,13-14,18H2,1H3
InChIKeyQSECBMDWAHZDGI-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.21
Rot. Bonds6

About N'-benzyl-N'-ethyl-1-phenylethane-1,2-diamine

N'-benzyl-N'-ethyl-1-phenylethane-1,2-diamine (PubChem CID 43126115) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N'-benzyl-N'-ethyl-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-ethyl-1-phenylethane-1,2-diamine
PubChem CID43126115
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN'-benzyl-N'-ethyl-1-phenylethane-1,2-diamine
SMILESCCN(Cc1ccccc1)CC(N)c1ccccc1
InChIInChI=1S/C17H22N2/c1-2-19(13-15-9-5-3-6-10-15)14-17(18)16-11-7-4-8-12-16/h3-12,17H,2,13-14,18H2,1H3
InChIKeyQSECBMDWAHZDGI-UHFFFAOYSA-N
XLogP3.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(2-amino-2-phenylethyl)-N,N,N'-triethylpropane-1,3-diamine
CID 102992514
N'-benzyl-N'-ethyl-2-phenylpropane-1,3-diamine
CID 43532152
N'-ethyl-1-phenyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61437521
(2S)-1-N-benzyl-1-N-ethyl-3,3-dimethylbutane-1,2-diamine
CID 130522054
N'-[(2S)-2-amino-2-phenylethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 112737155
2-[(2-amino-2-phenylethyl)-ethylamino]-N,N-dimethylacetamide
CID 63772577
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'-ethyl-2-(trifluoromethyl)propane-1,3-diamine
CID 103366107
2-[benzyl(ethyl)amino]-1-pyridin-4-ylethanol
CID 112501695
4-[benzyl(ethyl)amino]butane-1,3-diol
CID 142177129

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-ethyl-1-phenylethane-1,2-diamine?
The IUPAC name of N'-benzyl-N'-ethyl-1-phenylethane-1,2-diamine (CID 43126115) is N'-benzyl-N'-ethyl-1-phenylethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N'-ethyl-1-phenylethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N'-ethyl-1-phenylethane-1,2-diamine is CCN(Cc1ccccc1)CC(N)c1ccccc1.
What is the InChIKey of N'-benzyl-N'-ethyl-1-phenylethane-1,2-diamine?
The InChIKey is QSECBMDWAHZDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-2-19(13-15-9-5-3-6-10-15)14-17(18)16-11-7-4-8-12-16/h3-12,17H,2,13-14,18H2,1H3.
What are the key properties of N'-benzyl-N'-ethyl-1-phenylethane-1,2-diamine?
N'-benzyl-N'-ethyl-1-phenylethane-1,2-diamine has a molecular weight of 254.38 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-ethyl-1-phenylethane-1,2-diamine is sourced from PubChem (CID 43126115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).