N-(3-chlorophenyl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine

C17H21ClN2 — CID 65384440

IUPACN-(3-chlorophenyl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
SMILESCc1cc(C)c(C(CN)Nc2cccc(Cl)c2)c(C)c1
InChIInChI=1S/C17H21ClN2/c1-11-7-12(2)17(13(3)8-11)16(10-19)20-15-6-4-5-14(18)9-15/h4-9,16,20H,10,19H2,1-3H3
InChIKeyOZGZGTRXZRQTIO-UHFFFAOYSA-N
MW288.82 g/mol
LogP4.38
Rot. Bonds4

About N-(3-chlorophenyl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine

N-(3-chlorophenyl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine (PubChem CID 65384440) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
PubChem CID65384440
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC NameN-(3-chlorophenyl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
SMILESCc1cc(C)c(C(CN)Nc2cccc(Cl)c2)c(C)c1
InChIInChI=1S/C17H21ClN2/c1-11-7-12(2)17(13(3)8-11)16(10-19)20-15-6-4-5-14(18)9-15/h4-9,16,20H,10,19H2,1-3H3
InChIKeyOZGZGTRXZRQTIO-UHFFFAOYSA-N
XLogP4.38
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chlorophenyl)-1-(2,3-dimethylphenyl)ethane-1,2-diamine
CID 65382748
N,1-bis(3-chlorophenyl)ethane-1,2-diamine
CID 65383380
1-(2-chloro-6-fluorophenyl)-N-(3-chlorophenyl)ethane-1,2-diamine
CID 65384020
N-(3-chloro-5-fluorophenyl)-1-(2,6-dimethylphenyl)ethane-1,2-diamine
CID 107364552
N-(4-bromo-3,5-dimethylphenyl)-1-(3-chlorophenyl)ethane-1,2-diamine
CID 107573232
1-(5-bromothiophen-2-yl)-N-(3-chlorophenyl)ethane-1,2-diamine
CID 65385499
N-(4-bromo-3,5-dimethylphenyl)-1-(2,6-dimethylphenyl)ethane-1,2-diamine
CID 107573259
3-N-(3-chlorophenyl)butane-1,3-diamine
CID 117027031
1-(3-chloro-4-fluorophenyl)-N-(3-methylphenyl)ethane-1,2-diamine
CID 81144777
2-(3-chloroanilino)-2-(3-chloro-4-methylphenyl)ethanol
CID 106818136
2-(3-chloroanilino)-2-(3-chlorophenyl)ethanol
CID 61049948
2-(3-chloroanilino)-2-(4-fluoro-2-methylphenyl)ethanol
CID 55038676

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
The IUPAC name of N-(3-chlorophenyl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine (CID 65384440) is N-(3-chlorophenyl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(3-chlorophenyl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(3-chlorophenyl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine is Cc1cc(C)c(C(CN)Nc2cccc(Cl)c2)c(C)c1.
What is the InChIKey of N-(3-chlorophenyl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
The InChIKey is OZGZGTRXZRQTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-11-7-12(2)17(13(3)8-11)16(10-19)20-15-6-4-5-14(18)9-15/h4-9,16,20H,10,19H2,1-3H3.
What are the key properties of N-(3-chlorophenyl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
N-(3-chlorophenyl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine has a molecular weight of 288.82 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 65384440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).