2-N-benzyl-3-chloro-2-N-ethylbenzene-1,2-diamine

C15H17ClN2 — CID 28983511

IUPAC2-N-benzyl-3-chloro-2-N-ethylbenzene-1,2-diamine
SMILESCCN(Cc1ccccc1)c1c(N)cccc1Cl
InChIInChI=1S/C15H17ClN2/c1-2-18(11-12-7-4-3-5-8-12)15-13(16)9-6-10-14(15)17/h3-10H,2,11,17H2,1H3
InChIKeyNYIHGJNGUISJPE-UHFFFAOYSA-N
MW260.77 g/mol
LogP3.95
Rot. Bonds4

About 2-N-benzyl-3-chloro-2-N-ethylbenzene-1,2-diamine

2-N-benzyl-3-chloro-2-N-ethylbenzene-1,2-diamine (PubChem CID 28983511) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 2-N-benzyl-3-chloro-2-N-ethylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-benzyl-3-chloro-2-N-ethylbenzene-1,2-diamine
PubChem CID28983511
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name2-N-benzyl-3-chloro-2-N-ethylbenzene-1,2-diamine
SMILESCCN(Cc1ccccc1)c1c(N)cccc1Cl
InChIInChI=1S/C15H17ClN2/c1-2-18(11-12-7-4-3-5-8-12)15-13(16)9-6-10-14(15)17/h3-10H,2,11,17H2,1H3
InChIKeyNYIHGJNGUISJPE-UHFFFAOYSA-N
XLogP3.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-N-ethyl-2-N-[(2-methylphenyl)methyl]benzene-1,2-diamine
CID 43587735
3-chloro-2-N-ethyl-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
CID 61436708
2-N-ethyl-3-methyl-2-N-(pyridin-4-ylmethyl)benzene-1,2-diamine
CID 115550226
2-(2-amino-6-chloro-N-ethylanilino)-N-propan-2-ylacetamide
CID 54986290
2-[2-amino-6-chloro-N-(2-hydroxyethyl)anilino]ethanol
CID 61243728
N-benzyl-3-chloro-N-ethyl-2-(ethylaminomethyl)aniline
CID 43281523
3-chloro-2-N-propyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine
CID 55011400
2-N,2-N-dibenzylbenzene-1,2-diamine
CID 23459358
2-N-ethyl-2-N-(furan-2-ylmethyl)-3-methylbenzene-1,2-diamine
CID 113333708
N-(2-amino-6-chlorophenyl)-N',N'-diethylacetohydrazide
CID 154210344
2-[(4-aminophenyl)methyl-ethylamino]-6-chlorobenzonitrile
CID 62496514
CID 67277215
CID 67277215

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-3-chloro-2-N-ethylbenzene-1,2-diamine?
The IUPAC name of 2-N-benzyl-3-chloro-2-N-ethylbenzene-1,2-diamine (CID 28983511) is 2-N-benzyl-3-chloro-2-N-ethylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-benzyl-3-chloro-2-N-ethylbenzene-1,2-diamine?
The canonical SMILES for 2-N-benzyl-3-chloro-2-N-ethylbenzene-1,2-diamine is CCN(Cc1ccccc1)c1c(N)cccc1Cl.
What is the InChIKey of 2-N-benzyl-3-chloro-2-N-ethylbenzene-1,2-diamine?
The InChIKey is NYIHGJNGUISJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-2-18(11-12-7-4-3-5-8-12)15-13(16)9-6-10-14(15)17/h3-10H,2,11,17H2,1H3.
What are the key properties of 2-N-benzyl-3-chloro-2-N-ethylbenzene-1,2-diamine?
2-N-benzyl-3-chloro-2-N-ethylbenzene-1,2-diamine has a molecular weight of 260.77 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-3-chloro-2-N-ethylbenzene-1,2-diamine is sourced from PubChem (CID 28983511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).