2-chloro-5-methyl-4-N-(4-methylcycloheptyl)benzene-1,4-diamine

C15H23ClN2 — CID 114099091

IUPAC2-chloro-5-methyl-4-N-(4-methylcycloheptyl)benzene-1,4-diamine
SMILESCc1cc(N)c(Cl)cc1NC1CCCC(C)CC1
InChIInChI=1S/C15H23ClN2/c1-10-4-3-5-12(7-6-10)18-15-9-13(16)14(17)8-11(15)2/h8-10,12,18H,3-7,17H2,1-2H3
InChIKeyWZWVYAYSTKOLOL-UHFFFAOYSA-N
MW266.82 g/mol
LogP4.61
Rot. Bonds2

About 2-chloro-5-methyl-4-N-(4-methylcycloheptyl)benzene-1,4-diamine

2-chloro-5-methyl-4-N-(4-methylcycloheptyl)benzene-1,4-diamine (PubChem CID 114099091) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 2-chloro-5-methyl-4-N-(4-methylcycloheptyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-chloro-5-methyl-4-N-(4-methylcycloheptyl)benzene-1,4-diamine
PubChem CID114099091
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name2-chloro-5-methyl-4-N-(4-methylcycloheptyl)benzene-1,4-diamine
SMILESCc1cc(N)c(Cl)cc1NC1CCCC(C)CC1
InChIInChI=1S/C15H23ClN2/c1-10-4-3-5-12(7-6-10)18-15-9-13(16)14(17)8-11(15)2/h8-10,12,18H,3-7,17H2,1-2H3
InChIKeyWZWVYAYSTKOLOL-UHFFFAOYSA-N
XLogP4.61
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 54.61
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-(4-methylcyclohexyl)benzene-1,4-diamine
CID 113334150
3-methyl-4-[(4-methylcycloheptyl)amino]phenol
CID 65080297
3-chloro-1-N-(4-methylcyclohexyl)benzene-1,2-diamine
CID 104833978
2-chloro-4-N-(2,2-dimethylcyclopropyl)-5-methylbenzene-1,4-diamine
CID 115554822
2-chloro-4-cyclobutyloxy-5-methylaniline
CID 115555322
N-(3,5-dichloro-4-fluorophenyl)-4-methylcycloheptan-1-amine
CID 107572556
N-(3,4-dichlorophenyl)-4-methylcycloheptan-1-amine
CID 65080891
N-(4-chloro-2-iodophenyl)-4-methylcycloheptan-1-amine
CID 107631855
3-chloro-4-[(4-methylcycloheptyl)amino]benzonitrile
CID 107807300
2,5-dichloro-N-cyclopentyl-4-methylaniline
CID 104726288
4,5-dimethoxy-2-methyl-N-(4-methylcyclohexyl)aniline
CID 43716724
2-chloro-4-N-(2,2-diethyloxan-4-yl)-5-methylbenzene-1,4-diamine
CID 83028148

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-4-N-(4-methylcycloheptyl)benzene-1,4-diamine?
The IUPAC name of 2-chloro-5-methyl-4-N-(4-methylcycloheptyl)benzene-1,4-diamine (CID 114099091) is 2-chloro-5-methyl-4-N-(4-methylcycloheptyl)benzene-1,4-diamine.
What is the SMILES notation for 2-chloro-5-methyl-4-N-(4-methylcycloheptyl)benzene-1,4-diamine?
The canonical SMILES for 2-chloro-5-methyl-4-N-(4-methylcycloheptyl)benzene-1,4-diamine is Cc1cc(N)c(Cl)cc1NC1CCCC(C)CC1.
What is the InChIKey of 2-chloro-5-methyl-4-N-(4-methylcycloheptyl)benzene-1,4-diamine?
The InChIKey is WZWVYAYSTKOLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-10-4-3-5-12(7-6-10)18-15-9-13(16)14(17)8-11(15)2/h8-10,12,18H,3-7,17H2,1-2H3.
What are the key properties of 2-chloro-5-methyl-4-N-(4-methylcycloheptyl)benzene-1,4-diamine?
2-chloro-5-methyl-4-N-(4-methylcycloheptyl)benzene-1,4-diamine has a molecular weight of 266.82 g/mol, XLogP of 4.61, 2 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-(4-methylcycloheptyl)benzene-1,4-diamine is sourced from PubChem (CID 114099091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).