2-chloro-4-N-(3-ethoxycyclobutyl)-1-N,1-N-dimethylbenzene-1,4-diamine

C14H21ClN2O — CID 112573937

IUPAC2-chloro-4-N-(3-ethoxycyclobutyl)-1-N,1-N-dimethylbenzene-1,4-diamine
SMILESCCOC1CC(Nc2ccc(N(C)C)c(Cl)c2)C1
InChIInChI=1S/C14H21ClN2O/c1-4-18-12-7-11(8-12)16-10-5-6-14(17(2)3)13(15)9-10/h5-6,9,11-12,16H,4,7-8H2,1-3H3
InChIKeyZJKLOKPEZOONQG-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.39
Rot. Bonds5

About 2-chloro-4-N-(3-ethoxycyclobutyl)-1-N,1-N-dimethylbenzene-1,4-diamine

2-chloro-4-N-(3-ethoxycyclobutyl)-1-N,1-N-dimethylbenzene-1,4-diamine (PubChem CID 112573937) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-chloro-4-N-(3-ethoxycyclobutyl)-1-N,1-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-chloro-4-N-(3-ethoxycyclobutyl)-1-N,1-N-dimethylbenzene-1,4-diamine
PubChem CID112573937
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name2-chloro-4-N-(3-ethoxycyclobutyl)-1-N,1-N-dimethylbenzene-1,4-diamine
SMILESCCOC1CC(Nc2ccc(N(C)C)c(Cl)c2)C1
InChIInChI=1S/C14H21ClN2O/c1-4-18-12-7-11(8-12)16-10-5-6-14(17(2)3)13(15)9-10/h5-6,9,11-12,16H,4,7-8H2,1-3H3
InChIKeyZJKLOKPEZOONQG-UHFFFAOYSA-N
XLogP3.39
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1-N,1-N-dimethyl-4-N-(3-methylcyclobutyl)benzene-1,4-diamine
CID 104860241
4-N-(3-ethoxycyclobutyl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine
CID 115918954
3-chloro-N-(3-ethoxycyclobutyl)aniline
CID 112568351
2-chloro-4-N-(1,1-dioxothiolan-3-yl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 54867399
3-bromo-N-(3-ethoxycyclobutyl)-4-fluoroaniline
CID 115929864
2-chloro-1-N,1-N-dimethyl-4-N-(oxolan-3-yl)benzene-1,4-diamine
CID 63335531
6-[(3-ethoxycyclobutyl)amino]-4H-1,4-benzoxazin-3-one
CID 112561898
N-(3-ethoxycyclobutyl)-3-methylsulfanylaniline
CID 112561869
2-chloro-1-N,1-N-dimethyl-4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,4-diamine
CID 63450820
2-chloro-4-N-(2,6-dimethylcyclohexyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 63451177
N-(3-ethoxycyclobutyl)quinolin-6-amine
CID 112573906
2-chloro-4-N-(2,4-dimethylcyclohexyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 64762878

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-N-(3-ethoxycyclobutyl)-1-N,1-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 2-chloro-4-N-(3-ethoxycyclobutyl)-1-N,1-N-dimethylbenzene-1,4-diamine (CID 112573937) is 2-chloro-4-N-(3-ethoxycyclobutyl)-1-N,1-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 2-chloro-4-N-(3-ethoxycyclobutyl)-1-N,1-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 2-chloro-4-N-(3-ethoxycyclobutyl)-1-N,1-N-dimethylbenzene-1,4-diamine is CCOC1CC(Nc2ccc(N(C)C)c(Cl)c2)C1.
What is the InChIKey of 2-chloro-4-N-(3-ethoxycyclobutyl)-1-N,1-N-dimethylbenzene-1,4-diamine?
The InChIKey is ZJKLOKPEZOONQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-4-18-12-7-11(8-12)16-10-5-6-14(17(2)3)13(15)9-10/h5-6,9,11-12,16H,4,7-8H2,1-3H3.
What are the key properties of 2-chloro-4-N-(3-ethoxycyclobutyl)-1-N,1-N-dimethylbenzene-1,4-diamine?
2-chloro-4-N-(3-ethoxycyclobutyl)-1-N,1-N-dimethylbenzene-1,4-diamine has a molecular weight of 268.79 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-N-(3-ethoxycyclobutyl)-1-N,1-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 112573937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).