N'-benzyl-N'-[1-(3-chlorophenyl)ethyl]ethane-1,2-diamine

C17H21ClN2 — CID 106511328

IUPACN'-benzyl-N'-[1-(3-chlorophenyl)ethyl]ethane-1,2-diamine
SMILESCC(c1cccc(Cl)c1)N(CCN)Cc1ccccc1
InChIInChI=1S/C17H21ClN2/c1-14(16-8-5-9-17(18)12-16)20(11-10-19)13-15-6-3-2-4-7-15/h2-9,12,14H,10-11,13,19H2,1H3
InChIKeyOUEXJZDMFDOOPP-UHFFFAOYSA-N
MW288.82 g/mol
LogP3.86
Rot. Bonds6

About N'-benzyl-N'-[1-(3-chlorophenyl)ethyl]ethane-1,2-diamine

N'-benzyl-N'-[1-(3-chlorophenyl)ethyl]ethane-1,2-diamine (PubChem CID 106511328) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is N'-benzyl-N'-[1-(3-chlorophenyl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-[1-(3-chlorophenyl)ethyl]ethane-1,2-diamine
PubChem CID106511328
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC NameN'-benzyl-N'-[1-(3-chlorophenyl)ethyl]ethane-1,2-diamine
SMILESCC(c1cccc(Cl)c1)N(CCN)Cc1ccccc1
InChIInChI=1S/C17H21ClN2/c1-14(16-8-5-9-17(18)12-16)20(11-10-19)13-15-6-3-2-4-7-15/h2-9,12,14H,10-11,13,19H2,1H3
InChIKeyOUEXJZDMFDOOPP-UHFFFAOYSA-N
XLogP3.86
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-[2-aminoethyl(benzyl)amino]ethyl]phenol
CID 106511324
N'-[1-(3-chlorophenyl)ethyl]-N'-ethylethane-1,2-diamine;dihydrochloride
CID 170305796
N'-[(1R)-1-(3-chlorophenyl)ethyl]-N'-ethylethane-1,2-diamine;hydrochloride
CID 176718534
N'-benzyl-N'-[1-(3-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 106511322
N'-benzyl-N'-[1-(3,5-difluorophenyl)ethyl]ethane-1,2-diamine
CID 106511356
N'-benzyl-N'-[1-(4-methylsulfanylphenyl)ethyl]ethane-1,2-diamine
CID 106511300
2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-3-phenylpropane-1,2-diamine
CID 62979844
N'-[1-(3-chlorophenyl)ethyl]-N'-methylheptane-1,7-diamine
CID 62985951
N'-benzyl-N'-[1-(3-fluorophenyl)propyl]ethane-1,2-diamine
CID 106511255
N'-(1-phenylethyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 112501735
4-[benzyl(ethyl)amino]-4-(3-chlorophenyl)butan-1-ol
CID 69403889
N'-[1-(3-chlorophenyl)ethyl]-N',2-dimethylbutane-1,4-diamine
CID 81080490

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-[1-(3-chlorophenyl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-benzyl-N'-[1-(3-chlorophenyl)ethyl]ethane-1,2-diamine (CID 106511328) is N'-benzyl-N'-[1-(3-chlorophenyl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N'-[1-(3-chlorophenyl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N'-[1-(3-chlorophenyl)ethyl]ethane-1,2-diamine is CC(c1cccc(Cl)c1)N(CCN)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N'-[1-(3-chlorophenyl)ethyl]ethane-1,2-diamine?
The InChIKey is OUEXJZDMFDOOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-14(16-8-5-9-17(18)12-16)20(11-10-19)13-15-6-3-2-4-7-15/h2-9,12,14H,10-11,13,19H2,1H3.
What are the key properties of N'-benzyl-N'-[1-(3-chlorophenyl)ethyl]ethane-1,2-diamine?
N'-benzyl-N'-[1-(3-chlorophenyl)ethyl]ethane-1,2-diamine has a molecular weight of 288.82 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-[1-(3-chlorophenyl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 106511328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).