2-chloro-5-methyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzene-1,4-diamine

C15H23ClN2 — CID 115555097

IUPAC2-chloro-5-methyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzene-1,4-diamine
SMILESCc1cc(N)c(Cl)cc1NCC1C(C)(C)C1(C)C
InChIInChI=1S/C15H23ClN2/c1-9-6-11(17)10(16)7-12(9)18-8-13-14(2,3)15(13,4)5/h6-7,13,18H,8,17H2,1-5H3
InChIKeyFNXWIRCQYJRHDG-UHFFFAOYSA-N
MW266.82 g/mol
LogP4.32
Rot. Bonds3

About 2-chloro-5-methyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzene-1,4-diamine

2-chloro-5-methyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzene-1,4-diamine (PubChem CID 115555097) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 2-chloro-5-methyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2-chloro-5-methyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzene-1,4-diamine
PubChem CID115555097
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name2-chloro-5-methyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzene-1,4-diamine
SMILESCc1cc(N)c(Cl)cc1NCC1C(C)(C)C1(C)C
InChIInChI=1S/C15H23ClN2/c1-9-6-11(17)10(16)7-12(9)18-8-13-14(2,3)15(13,4)5/h6-7,13,18H,8,17H2,1-5H3
InChIKeyFNXWIRCQYJRHDG-UHFFFAOYSA-N
XLogP4.32
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 54.32
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

2-chloro-5-methyl-4-N-octylbenzene-1,4-diamine
CID 115566164
2-chloro-4-N,5-dimethylbenzene-1,4-diamine
CID 79006794
2-chloro-4-N-(2,2-dimethylcyclopropyl)-5-methylbenzene-1,4-diamine
CID 115554822
2-chloro-5-methyl-4-N-(3-methylbutyl)benzene-1,4-diamine
CID 115554438
2-chloro-5-methyl-4-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzene-1,4-diamine
CID 115554823
2-chloro-5-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]benzene-1,4-diamine
CID 106036404
[1-[(4-amino-5-chloro-2-methylanilino)methyl]cyclopentyl]methanol
CID 115555162
2-chloro-4-N-[2-(furan-2-yl)ethyl]-5-methylbenzene-1,4-diamine
CID 113334246
2-chloro-5-methyl-4-N-(2-propan-2-yloxyethyl)benzene-1,4-diamine
CID 104758729
2-chloro-5-methyl-4-N-[3-(2-methylpropoxy)propyl]benzene-1,4-diamine
CID 114097532
methyl 3-(4-amino-5-chloro-2-methylanilino)propanoate
CID 115554656
2-chloro-4-N-(5-chloro-2-methylphenyl)-5-methylbenzene-1,4-diamine
CID 115554524

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzene-1,4-diamine?
The IUPAC name of 2-chloro-5-methyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzene-1,4-diamine (CID 115555097) is 2-chloro-5-methyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzene-1,4-diamine.
What is the SMILES notation for 2-chloro-5-methyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzene-1,4-diamine?
The canonical SMILES for 2-chloro-5-methyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzene-1,4-diamine is Cc1cc(N)c(Cl)cc1NCC1C(C)(C)C1(C)C.
What is the InChIKey of 2-chloro-5-methyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzene-1,4-diamine?
The InChIKey is FNXWIRCQYJRHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-9-6-11(17)10(16)7-12(9)18-8-13-14(2,3)15(13,4)5/h6-7,13,18H,8,17H2,1-5H3.
What are the key properties of 2-chloro-5-methyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzene-1,4-diamine?
2-chloro-5-methyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzene-1,4-diamine has a molecular weight of 266.82 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzene-1,4-diamine is sourced from PubChem (CID 115555097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).