3-chloro-2-N,2-N-dimethyl-1-N-(oxan-4-yl)benzene-1,2-diamine

C13H19ClN2O — CID 43739695

IUPAC3-chloro-2-N,2-N-dimethyl-1-N-(oxan-4-yl)benzene-1,2-diamine
SMILESCN(C)c1c(Cl)cccc1NC1CCOCC1
InChIInChI=1S/C13H19ClN2O/c1-16(2)13-11(14)4-3-5-12(13)15-10-6-8-17-9-7-10/h3-5,10,15H,6-9H2,1-2H3
InChIKeyIAOYISBNPHUDMK-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.00
Rot. Bonds3

About 3-chloro-2-N,2-N-dimethyl-1-N-(oxan-4-yl)benzene-1,2-diamine

3-chloro-2-N,2-N-dimethyl-1-N-(oxan-4-yl)benzene-1,2-diamine (PubChem CID 43739695) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 3-chloro-2-N,2-N-dimethyl-1-N-(oxan-4-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-chloro-2-N,2-N-dimethyl-1-N-(oxan-4-yl)benzene-1,2-diamine
PubChem CID43739695
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name3-chloro-2-N,2-N-dimethyl-1-N-(oxan-4-yl)benzene-1,2-diamine
SMILESCN(C)c1c(Cl)cccc1NC1CCOCC1
InChIInChI=1S/C13H19ClN2O/c1-16(2)13-11(14)4-3-5-12(13)15-10-6-8-17-9-7-10/h3-5,10,15H,6-9H2,1-2H3
InChIKeyIAOYISBNPHUDMK-UHFFFAOYSA-N
XLogP3.00
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-1-N-(3,5-dimethylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 64750815
3-chloro-2-N,2-N-dimethyl-1-N-pyrrolidin-3-ylbenzene-1,2-diamine
CID 79730840
N-(3-chloro-2-pyrrolidin-1-ylphenyl)oxan-4-amine
CID 50970392
2-N,2-N-dimethyl-1-N-(oxan-4-yl)benzene-1,2-diamine
CID 43726415
3-chloro-1-N-(3-methoxycyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 106871888
N-(2-chlorophenyl)oxepan-4-amine
CID 65076772
4-[3-chloro-2-(dimethylamino)anilino]piperidine-1-carboxamide
CID 43789870
3-chloro-1-N-(1-cyclopropylpyrrolidin-3-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 62981650
3-chloro-2-N,2-N-dimethyl-1-N-(4-propylcycloheptyl)benzene-1,2-diamine
CID 65086873
N-(3-chloro-2-nitrophenyl)oxan-4-amine
CID 104835729
N-(2,3-dichlorophenyl)oxolan-3-amine
CID 63331897
3-chloro-1-N-(2,3-dimethylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 64762651

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-N,2-N-dimethyl-1-N-(oxan-4-yl)benzene-1,2-diamine?
The IUPAC name of 3-chloro-2-N,2-N-dimethyl-1-N-(oxan-4-yl)benzene-1,2-diamine (CID 43739695) is 3-chloro-2-N,2-N-dimethyl-1-N-(oxan-4-yl)benzene-1,2-diamine.
What is the SMILES notation for 3-chloro-2-N,2-N-dimethyl-1-N-(oxan-4-yl)benzene-1,2-diamine?
The canonical SMILES for 3-chloro-2-N,2-N-dimethyl-1-N-(oxan-4-yl)benzene-1,2-diamine is CN(C)c1c(Cl)cccc1NC1CCOCC1.
What is the InChIKey of 3-chloro-2-N,2-N-dimethyl-1-N-(oxan-4-yl)benzene-1,2-diamine?
The InChIKey is IAOYISBNPHUDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-16(2)13-11(14)4-3-5-12(13)15-10-6-8-17-9-7-10/h3-5,10,15H,6-9H2,1-2H3.
What are the key properties of 3-chloro-2-N,2-N-dimethyl-1-N-(oxan-4-yl)benzene-1,2-diamine?
3-chloro-2-N,2-N-dimethyl-1-N-(oxan-4-yl)benzene-1,2-diamine has a molecular weight of 254.76 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-N,2-N-dimethyl-1-N-(oxan-4-yl)benzene-1,2-diamine is sourced from PubChem (CID 43739695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).