2-N-(2-tert-butylphenyl)-4-chlorobenzene-1,2-diamine

C16H19ClN2 — CID 115469018

IUPAC2-N-(2-tert-butylphenyl)-4-chlorobenzene-1,2-diamine
SMILESCC(C)(C)c1ccccc1Nc1cc(Cl)ccc1N
InChIInChI=1S/C16H19ClN2/c1-16(2,3)12-6-4-5-7-14(12)19-15-10-11(17)8-9-13(15)18/h4-10,19H,18H2,1-3H3
InChIKeyCMLQHKUEOZHWKE-UHFFFAOYSA-N
MW274.80 g/mol
LogP4.96
Rot. Bonds2

About 2-N-(2-tert-butylphenyl)-4-chlorobenzene-1,2-diamine

2-N-(2-tert-butylphenyl)-4-chlorobenzene-1,2-diamine (PubChem CID 115469018) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is 2-N-(2-tert-butylphenyl)-4-chlorobenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-tert-butylphenyl)-4-chlorobenzene-1,2-diamine
PubChem CID115469018
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC Name2-N-(2-tert-butylphenyl)-4-chlorobenzene-1,2-diamine
SMILESCC(C)(C)c1ccccc1Nc1cc(Cl)ccc1N
InChIInChI=1S/C16H19ClN2/c1-16(2,3)12-6-4-5-7-14(12)19-15-10-11(17)8-9-13(15)18/h4-10,19H,18H2,1-3H3
InChIKeyCMLQHKUEOZHWKE-UHFFFAOYSA-N
XLogP4.96
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-(2-tert-butylanilino)benzoic acid
CID 82777051
4-chloro-2-N-phenylbenzene-1,2-diamine
CID 526554
4-chloro-2-N-(2-ethylphenyl)benzene-1,2-diamine
CID 115468565
4-chloro-2-N-(2,3-dimethylphenyl)benzene-1,2-diamine
CID 113315599
4-chloro-2-N-(2-propylphenyl)benzene-1,2-diamine
CID 115468772
2-(2-amino-5-chloroanilino)benzonitrile
CID 113315594
4-chloro-2-N-(2,4-dimethylphenyl)benzene-1,2-diamine
CID 115468556
2-(2-amino-5-chloroanilino)benzoic acid
CID 59783721
4-chloro-2-N-(2-chloro-4-methylphenyl)benzene-1,2-diamine
CID 115468574
4-chloro-2-N-(2,3,4-trifluorophenyl)benzene-1,2-diamine
CID 113315585
4-chloro-2-N-[4-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 115468541
4-chloro-2-N-[2-methyl-5-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 115469106

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-tert-butylphenyl)-4-chlorobenzene-1,2-diamine?
The IUPAC name of 2-N-(2-tert-butylphenyl)-4-chlorobenzene-1,2-diamine (CID 115469018) is 2-N-(2-tert-butylphenyl)-4-chlorobenzene-1,2-diamine.
What is the SMILES notation for 2-N-(2-tert-butylphenyl)-4-chlorobenzene-1,2-diamine?
The canonical SMILES for 2-N-(2-tert-butylphenyl)-4-chlorobenzene-1,2-diamine is CC(C)(C)c1ccccc1Nc1cc(Cl)ccc1N.
What is the InChIKey of 2-N-(2-tert-butylphenyl)-4-chlorobenzene-1,2-diamine?
The InChIKey is CMLQHKUEOZHWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-16(2,3)12-6-4-5-7-14(12)19-15-10-11(17)8-9-13(15)18/h4-10,19H,18H2,1-3H3.
What are the key properties of 2-N-(2-tert-butylphenyl)-4-chlorobenzene-1,2-diamine?
2-N-(2-tert-butylphenyl)-4-chlorobenzene-1,2-diamine has a molecular weight of 274.80 g/mol, XLogP of 4.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-tert-butylphenyl)-4-chlorobenzene-1,2-diamine is sourced from PubChem (CID 115469018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).