N-(2-tert-butyl-4-chlorophenyl)-2-chloro-4-methylaniline

C17H19Cl2N — CID 70949628

IUPACN-(2-tert-butyl-4-chlorophenyl)-2-chloro-4-methylaniline
SMILESCc1ccc(Nc2ccc(Cl)cc2C(C)(C)C)c(Cl)c1
InChIInChI=1S/C17H19Cl2N/c1-11-5-7-16(14(19)9-11)20-15-8-6-12(18)10-13(15)17(2,3)4/h5-10,20H,1-4H3
InChIKeyVNVUFTYHDMFBDH-UHFFFAOYSA-N
MW308.25 g/mol
LogP6.34
Rot. Bonds2

About N-(2-tert-butyl-4-chlorophenyl)-2-chloro-4-methylaniline

N-(2-tert-butyl-4-chlorophenyl)-2-chloro-4-methylaniline (PubChem CID 70949628) has the molecular formula C17H19Cl2N and a molecular weight of 308.25 g/mol. Its IUPAC name is N-(2-tert-butyl-4-chlorophenyl)-2-chloro-4-methylaniline.

Molecular Properties

Compound NameN-(2-tert-butyl-4-chlorophenyl)-2-chloro-4-methylaniline
PubChem CID70949628
Molecular FormulaC17H19Cl2N
Molecular Weight308.25 g/mol
Exact Mass307.09
IUPAC NameN-(2-tert-butyl-4-chlorophenyl)-2-chloro-4-methylaniline
SMILESCc1ccc(Nc2ccc(Cl)cc2C(C)(C)C)c(Cl)c1
InChIInChI=1S/C17H19Cl2N/c1-11-5-7-16(14(19)9-11)20-15-8-6-12(18)10-13(15)17(2,3)4/h5-10,20H,1-4H3
InChIKeyVNVUFTYHDMFBDH-UHFFFAOYSA-N
XLogP6.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.25
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-2-N-(2-chloro-4-methylphenyl)benzene-1,2-diamine
CID 115468574
4-N-(2-tert-butyl-4-methylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 167009511
3-N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzene-1,3-diamine
CID 63401990
2-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-4-methylaniline
CID 114841500
2-chloro-4-methyl-N-propan-2-ylaniline
CID 28876969
N'-(2-chloro-4-methylphenyl)ethane-1,2-diamine
CID 82504176
4-chloro-1-N-(2,5-dimethylphenyl)benzene-1,2-diamine
CID 29067167
4-chloro-N-[(2,5-dimethylphenyl)methyl]-2-(trifluoromethyl)aniline
CID 63419212
2-(2-chloro-4-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 9099362
3-chloro-4-(2-chloro-4-methylanilino)benzenecarbothioamide
CID 63520106
1-N-(4-bromo-2-chlorophenyl)-4-methylbenzene-1,2-diamine
CID 43349543
2-tert-butyl-4-chloro-1-fluorobenzene
CID 58745497

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-4-chlorophenyl)-2-chloro-4-methylaniline?
The IUPAC name of N-(2-tert-butyl-4-chlorophenyl)-2-chloro-4-methylaniline (CID 70949628) is N-(2-tert-butyl-4-chlorophenyl)-2-chloro-4-methylaniline.
What is the SMILES notation for N-(2-tert-butyl-4-chlorophenyl)-2-chloro-4-methylaniline?
The canonical SMILES for N-(2-tert-butyl-4-chlorophenyl)-2-chloro-4-methylaniline is Cc1ccc(Nc2ccc(Cl)cc2C(C)(C)C)c(Cl)c1.
What is the InChIKey of N-(2-tert-butyl-4-chlorophenyl)-2-chloro-4-methylaniline?
The InChIKey is VNVUFTYHDMFBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N/c1-11-5-7-16(14(19)9-11)20-15-8-6-12(18)10-13(15)17(2,3)4/h5-10,20H,1-4H3.
What are the key properties of N-(2-tert-butyl-4-chlorophenyl)-2-chloro-4-methylaniline?
N-(2-tert-butyl-4-chlorophenyl)-2-chloro-4-methylaniline has a molecular weight of 308.25 g/mol, XLogP of 6.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-4-chlorophenyl)-2-chloro-4-methylaniline is sourced from PubChem (CID 70949628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).