1-(3-chloro-4-methylphenyl)-N-ethyl-N-methylethane-1,2-diamine

C12H19ClN2 — CID 106817250

IUPAC1-(3-chloro-4-methylphenyl)-N-ethyl-N-methylethane-1,2-diamine
SMILESCCN(C)C(CN)c1ccc(C)c(Cl)c1
InChIInChI=1S/C12H19ClN2/c1-4-15(3)12(8-14)10-6-5-9(2)11(13)7-10/h5-7,12H,4,8,14H2,1-3H3
InChIKeyVEMYDQXKIMNVFI-UHFFFAOYSA-N
MW226.75 g/mol
LogP2.60
Rot. Bonds4

About 1-(3-chloro-4-methylphenyl)-N-ethyl-N-methylethane-1,2-diamine

1-(3-chloro-4-methylphenyl)-N-ethyl-N-methylethane-1,2-diamine (PubChem CID 106817250) has the molecular formula C12H19ClN2 and a molecular weight of 226.75 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-N-ethyl-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-N-ethyl-N-methylethane-1,2-diamine
PubChem CID106817250
Molecular FormulaC12H19ClN2
Molecular Weight226.75 g/mol
Exact Mass226.12
IUPAC Name1-(3-chloro-4-methylphenyl)-N-ethyl-N-methylethane-1,2-diamine
SMILESCCN(C)C(CN)c1ccc(C)c(Cl)c1
InChIInChI=1S/C12H19ClN2/c1-4-15(3)12(8-14)10-6-5-9(2)11(13)7-10/h5-7,12H,4,8,14H2,1-3H3
InChIKeyVEMYDQXKIMNVFI-UHFFFAOYSA-N
XLogP2.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-methylphenyl)-N-methyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 106817310
1-(3-chloro-4-methylphenyl)-N-[(4-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 106817297
1-(3-chloro-4-methylphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 106817259
1-(3-chloro-4-methylphenyl)-N-methyl-N-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 106817505
1-(3-chloro-4-methylphenyl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine
CID 106817491
1-(3-chloro-4-methylphenyl)-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 106817330
1-(3-chloro-4-methylphenyl)-N-(1-ethylpiperidin-4-yl)-N-methylethane-1,2-diamine
CID 106817357
2-(3-chloro-4-methylphenyl)-2-(2,2-dimethylhydrazinyl)ethanamine
CID 106817514
1-(3-chloro-4-methylphenyl)-N-cyclopropyl-N-(cyclopropylmethyl)ethane-1,2-diamine
CID 106817441
1-(3,4-dichlorophenyl)-N,N-dimethylethane-1,2-diamine
CID 16789744
1-(3,4-dimethylphenyl)-N,N-diethylethane-1,2-diamine
CID 43753439
(1R)-1-(3,4-dimethylphenyl)-N,N-dimethylethane-1,2-diamine
CID 93279766

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-N-ethyl-N-methylethane-1,2-diamine?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-N-ethyl-N-methylethane-1,2-diamine (CID 106817250) is 1-(3-chloro-4-methylphenyl)-N-ethyl-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-N-ethyl-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-N-ethyl-N-methylethane-1,2-diamine is CCN(C)C(CN)c1ccc(C)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-N-ethyl-N-methylethane-1,2-diamine?
The InChIKey is VEMYDQXKIMNVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2/c1-4-15(3)12(8-14)10-6-5-9(2)11(13)7-10/h5-7,12H,4,8,14H2,1-3H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-N-ethyl-N-methylethane-1,2-diamine?
1-(3-chloro-4-methylphenyl)-N-ethyl-N-methylethane-1,2-diamine has a molecular weight of 226.75 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-N-ethyl-N-methylethane-1,2-diamine is sourced from PubChem (CID 106817250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).