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

C16H19ClN2 — CID 65376884

IUPACN-(2-chlorophenyl)-1-(2,3-dimethylphenyl)ethane-1,2-diamine
SMILESCc1cccc(C(CN)Nc2ccccc2Cl)c1C
InChIInChI=1S/C16H19ClN2/c1-11-6-5-7-13(12(11)2)16(10-18)19-15-9-4-3-8-14(15)17/h3-9,16,19H,10,18H2,1-2H3
InChIKeySHNIZXALCNGFFY-UHFFFAOYSA-N
MW274.80 g/mol
LogP4.07
Rot. Bonds4

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

N-(2-chlorophenyl)-1-(2,3-dimethylphenyl)ethane-1,2-diamine (PubChem CID 65376884) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1-(2,3-dimethylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1-(2,3-dimethylphenyl)ethane-1,2-diamine
PubChem CID65376884
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC NameN-(2-chlorophenyl)-1-(2,3-dimethylphenyl)ethane-1,2-diamine
SMILESCc1cccc(C(CN)Nc2ccccc2Cl)c1C
InChIInChI=1S/C16H19ClN2/c1-11-6-5-7-13(12(11)2)16(10-18)19-15-9-4-3-8-14(15)17/h3-9,16,19H,10,18H2,1-2H3
InChIKeySHNIZXALCNGFFY-UHFFFAOYSA-N
XLogP4.07
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,1-bis(2-chlorophenyl)ethane-1,2-diamine
CID 65377297
N-(3-chlorophenyl)-1-(2,3-dimethylphenyl)ethane-1,2-diamine
CID 65382748
N-(2-chlorophenyl)-1-quinolin-8-ylethane-1,2-diamine
CID 65378756
N-(2-chlorophenyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 65377098
1-(5-chloro-2-fluorophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine
CID 114843280
N-(2-bromophenyl)-1-(2-methylphenyl)ethane-1,2-diamine
CID 65383417
1-(2-chloro-6-fluorophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine
CID 65378133
N-(2-bromophenyl)-1-(2-chlorophenyl)ethane-1,2-diamine
CID 65383000
1-(2,3-dichlorophenyl)-N-(2-fluorophenyl)ethane-1,2-diamine
CID 65378776
1-(2,3-difluorophenyl)-N-(2-methylphenyl)ethane-1,2-diamine
CID 65378631
1-(1-benzothiophen-3-yl)-N-(2-chlorophenyl)ethane-1,2-diamine
CID 65377930
1-(4-tert-butylphenyl)-N-(2-chlorophenyl)ethane-1,2-diamine
CID 65379394

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-1-(2,3-dimethylphenyl)ethane-1,2-diamine?
The IUPAC name of N-(2-chlorophenyl)-1-(2,3-dimethylphenyl)ethane-1,2-diamine (CID 65376884) is N-(2-chlorophenyl)-1-(2,3-dimethylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-chlorophenyl)-1-(2,3-dimethylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(2-chlorophenyl)-1-(2,3-dimethylphenyl)ethane-1,2-diamine is Cc1cccc(C(CN)Nc2ccccc2Cl)c1C.
What is the InChIKey of N-(2-chlorophenyl)-1-(2,3-dimethylphenyl)ethane-1,2-diamine?
The InChIKey is SHNIZXALCNGFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-11-6-5-7-13(12(11)2)16(10-18)19-15-9-4-3-8-14(15)17/h3-9,16,19H,10,18H2,1-2H3.
What are the key properties of N-(2-chlorophenyl)-1-(2,3-dimethylphenyl)ethane-1,2-diamine?
N-(2-chlorophenyl)-1-(2,3-dimethylphenyl)ethane-1,2-diamine has a molecular weight of 274.80 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-1-(2,3-dimethylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 65376884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).