1-(2-chloro-6-methoxyphenyl)-N-cyclopropylethane-1,2-diamine

C12H17ClN2O — CID 104816316

IUPAC1-(2-chloro-6-methoxyphenyl)-N-cyclopropylethane-1,2-diamine
SMILESCOc1cccc(Cl)c1C(CN)NC1CC1
InChIInChI=1S/C12H17ClN2O/c1-16-11-4-2-3-9(13)12(11)10(7-14)15-8-5-6-8/h2-4,8,10,15H,5-7,14H2,1H3
InChIKeyHRZADSKHNADANH-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.10
Rot. Bonds5

About 1-(2-chloro-6-methoxyphenyl)-N-cyclopropylethane-1,2-diamine

1-(2-chloro-6-methoxyphenyl)-N-cyclopropylethane-1,2-diamine (PubChem CID 104816316) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 1-(2-chloro-6-methoxyphenyl)-N-cyclopropylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-chloro-6-methoxyphenyl)-N-cyclopropylethane-1,2-diamine
PubChem CID104816316
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name1-(2-chloro-6-methoxyphenyl)-N-cyclopropylethane-1,2-diamine
SMILESCOc1cccc(Cl)c1C(CN)NC1CC1
InChIInChI=1S/C12H17ClN2O/c1-16-11-4-2-3-9(13)12(11)10(7-14)15-8-5-6-8/h2-4,8,10,15H,5-7,14H2,1H3
InChIKeyHRZADSKHNADANH-UHFFFAOYSA-N
XLogP2.10
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[[2-amino-1-(2-chloro-6-methoxyphenyl)ethyl]amino]cyclohexyl]methanol
CID 106360404
1-(2-chloro-6-methoxyphenyl)-N-ethylethane-1,2-diamine
CID 104816313
1-(2,6-dichlorophenyl)-N-(3-methylcyclopentyl)ethane-1,2-diamine
CID 114544697
2-(2-chloro-6-methoxyphenyl)-2-(cyclopropylamino)acetonitrile
CID 104816442
N-cyclobutyl-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 105476318
2-(2-chloro-6-methoxyphenyl)-2-(cyclopentylamino)acetamide
CID 104816493
1-(3-chloro-4-methoxyphenyl)-N-cyclopentylethane-1,2-diamine
CID 65384153
1-(2-chloro-6-methoxyphenyl)-N-(cyclopentylmethyl)-N-methylethane-1,2-diamine
CID 104816340
1-(2-chloro-6-methoxyphenyl)-N-(cyclohexylmethyl)-N-methylethane-1,2-diamine
CID 104816278
N-(2-bromo-5-methylphenyl)-1-(2-chloro-6-methoxyphenyl)ethane-1,2-diamine
CID 104816416
2-(2-chloro-6-methoxyphenyl)-2-triethylsilyloxyethanamine
CID 123701807
N-cyclopropyl-1-(4-methoxyphenyl)ethane-1,2-diamine
CID 62070325

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-methoxyphenyl)-N-cyclopropylethane-1,2-diamine?
The IUPAC name of 1-(2-chloro-6-methoxyphenyl)-N-cyclopropylethane-1,2-diamine (CID 104816316) is 1-(2-chloro-6-methoxyphenyl)-N-cyclopropylethane-1,2-diamine.
What is the SMILES notation for 1-(2-chloro-6-methoxyphenyl)-N-cyclopropylethane-1,2-diamine?
The canonical SMILES for 1-(2-chloro-6-methoxyphenyl)-N-cyclopropylethane-1,2-diamine is COc1cccc(Cl)c1C(CN)NC1CC1.
What is the InChIKey of 1-(2-chloro-6-methoxyphenyl)-N-cyclopropylethane-1,2-diamine?
The InChIKey is HRZADSKHNADANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-16-11-4-2-3-9(13)12(11)10(7-14)15-8-5-6-8/h2-4,8,10,15H,5-7,14H2,1H3.
What are the key properties of 1-(2-chloro-6-methoxyphenyl)-N-cyclopropylethane-1,2-diamine?
1-(2-chloro-6-methoxyphenyl)-N-cyclopropylethane-1,2-diamine has a molecular weight of 240.73 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-methoxyphenyl)-N-cyclopropylethane-1,2-diamine is sourced from PubChem (CID 104816316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).