1-N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-4-N,4-N,2-trimethylbenzene-1,4-diamine

C18H21ClN2 — CID 115348778

IUPAC1-N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-4-N,4-N,2-trimethylbenzene-1,4-diamine
SMILESCc1cc(N(C)C)ccc1NC1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C18H21ClN2/c1-12-8-17(21(2)3)6-7-18(12)20-16-10-13-4-5-15(19)9-14(13)11-16/h4-9,16,20H,10-11H2,1-3H3
InChIKeyOKXLULVNXIFBOJ-UHFFFAOYSA-N
MW300.83 g/mol
LogP4.29
Rot. Bonds3

About 1-N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-4-N,4-N,2-trimethylbenzene-1,4-diamine

1-N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-4-N,4-N,2-trimethylbenzene-1,4-diamine (PubChem CID 115348778) has the molecular formula C18H21ClN2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 1-N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-4-N,4-N,2-trimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-4-N,4-N,2-trimethylbenzene-1,4-diamine
PubChem CID115348778
Molecular FormulaC18H21ClN2
Molecular Weight300.83 g/mol
Exact Mass300.14
IUPAC Name1-N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-4-N,4-N,2-trimethylbenzene-1,4-diamine
SMILESCc1cc(N(C)C)ccc1NC1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C18H21ClN2/c1-12-8-17(21(2)3)6-7-18(12)20-16-10-13-4-5-15(19)9-14(13)11-16/h4-9,16,20H,10-11H2,1-3H3
InChIKeyOKXLULVNXIFBOJ-UHFFFAOYSA-N
XLogP4.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 1-N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-4-N,4-N,2-trimethylbenzene-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-(4-methoxy-2-methylphenyl)-2,3-dihydro-1H-inden-2-amine
CID 115349039
5-chloro-N-(5-chloro-2-methylphenyl)-2,3-dihydro-1H-inden-2-amine
CID 115348580
N-(2-bromo-4-methylphenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine
CID 115348594
4-N,4-N,2-trimethyl-1-N-(1-oxothian-4-yl)benzene-1,4-diamine
CID 54981806
5-chloro-N-(2-chloro-6-methylphenyl)-2,3-dihydro-1H-inden-2-amine
CID 115349107
4-N,4-N,2-trimethyl-1-N-(thiolan-3-yl)benzene-1,4-diamine
CID 43676939
1-N-(3-ethoxycyclobutyl)-4-N,4-N,2-trimethylbenzene-1,4-diamine
CID 112561855
5-chloro-N-(2,6-dichlorophenyl)-2,3-dihydro-1H-inden-2-amine
CID 115349088
N-(5-chloro-2,3-dihydro-1H-inden-2-yl)naphthalen-1-amine
CID 115348592
1-N-(4-chloro-2-methylphenyl)cyclobutane-1,3-diamine
CID 80558984
5-chloro-N-(2-ethoxyphenyl)-2,3-dihydro-1H-inden-2-amine
CID 115348600
N-(2-bromo-5-fluorophenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine
CID 107632769

Frequently Asked Questions

What is the IUPAC name of 1-N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-4-N,4-N,2-trimethylbenzene-1,4-diamine?
The IUPAC name of 1-N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-4-N,4-N,2-trimethylbenzene-1,4-diamine (CID 115348778) is 1-N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-4-N,4-N,2-trimethylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-4-N,4-N,2-trimethylbenzene-1,4-diamine?
The canonical SMILES for 1-N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-4-N,4-N,2-trimethylbenzene-1,4-diamine is Cc1cc(N(C)C)ccc1NC1Cc2ccc(Cl)cc2C1.
What is the InChIKey of 1-N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-4-N,4-N,2-trimethylbenzene-1,4-diamine?
The InChIKey is OKXLULVNXIFBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2/c1-12-8-17(21(2)3)6-7-18(12)20-16-10-13-4-5-15(19)9-14(13)11-16/h4-9,16,20H,10-11H2,1-3H3.
What are the key properties of 1-N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-4-N,4-N,2-trimethylbenzene-1,4-diamine?
1-N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-4-N,4-N,2-trimethylbenzene-1,4-diamine has a molecular weight of 300.83 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-4-N,4-N,2-trimethylbenzene-1,4-diamine is sourced from PubChem (CID 115348778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).