N'-(3-chlorophenyl)ethane-1,2-diamine

C8H11ClN2 — CID 11008376

IUPACN'-(3-chlorophenyl)ethane-1,2-diamine
SMILESNCCNc1cccc(Cl)c1
InChIInChI=1S/C8H11ClN2/c9-7-2-1-3-8(6-7)11-5-4-10/h1-3,6,11H,4-5,10H2
InChIKeyXLYRTRQTLBKLLD-UHFFFAOYSA-N
MW170.64 g/mol
LogP1.71
Rot. Bonds3

About N'-(3-chlorophenyl)ethane-1,2-diamine

N'-(3-chlorophenyl)ethane-1,2-diamine (PubChem CID 11008376) has the molecular formula C8H11ClN2 and a molecular weight of 170.64 g/mol. Its IUPAC name is N'-(3-chlorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-chlorophenyl)ethane-1,2-diamine
PubChem CID11008376
Molecular FormulaC8H11ClN2
Molecular Weight170.64 g/mol
Exact Mass170.06
IUPAC NameN'-(3-chlorophenyl)ethane-1,2-diamine
SMILESNCCNc1cccc(Cl)c1
InChIInChI=1S/C8H11ClN2/c9-7-2-1-3-8(6-7)11-5-4-10/h1-3,6,11H,4-5,10H2
InChIKeyXLYRTRQTLBKLLD-UHFFFAOYSA-N
XLogP1.71
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-bis(3-chlorophenyl)ethane-1,2-diamine
CID 14274750
N'-(3-chlorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine
CID 54806317
3-chloro-N-(2-methylsulfanylethyl)aniline
CID 62581736
4-(3-chloroanilino)butanamide
CID 67066977
3-chloro-N-[2-(2,5-dichlorophenoxy)ethyl]aniline
CID 63505403
3-chloro-N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]aniline
CID 114791927
N'-(3-chlorophenyl)-N-cyclopropylethane-1,2-diamine
CID 62559395
3-chloro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline
CID 62597642
3-chloro-N-[2-(3,4-difluorophenoxy)ethyl]aniline
CID 62597196
3-chloro-N-[2-(3-methylphenyl)ethyl]aniline
CID 68835949
2-(3-chloroanilino)ethanethioamide
CID 82076448
3-N-(2-aminoethyl)-1-N-(3-methylbutyl)benzene-1,3-diamine
CID 170004129

Frequently Asked Questions

What is the IUPAC name of N'-(3-chlorophenyl)ethane-1,2-diamine?
The IUPAC name of N'-(3-chlorophenyl)ethane-1,2-diamine (CID 11008376) is N'-(3-chlorophenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3-chlorophenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(3-chlorophenyl)ethane-1,2-diamine is NCCNc1cccc(Cl)c1.
What is the InChIKey of N'-(3-chlorophenyl)ethane-1,2-diamine?
The InChIKey is XLYRTRQTLBKLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2/c9-7-2-1-3-8(6-7)11-5-4-10/h1-3,6,11H,4-5,10H2.
What are the key properties of N'-(3-chlorophenyl)ethane-1,2-diamine?
N'-(3-chlorophenyl)ethane-1,2-diamine has a molecular weight of 170.64 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chlorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 11008376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).