(1R)-1-(3,5-dichloro-2-methoxyphenyl)ethane-1,2-diamine

C9H12Cl2N2O — CID 66517963

IUPAC(1R)-1-(3,5-dichloro-2-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1c(Cl)cc(Cl)cc1[C@@H](N)CN
InChIInChI=1S/C9H12Cl2N2O/c1-14-9-6(8(13)4-12)2-5(10)3-7(9)11/h2-3,8H,4,12-13H2,1H3/t8-/m0/s1
InChIKeyRFEJSTLCYFFGHF-QMMMGPOBSA-N
MW235.11 g/mol
LogP1.96
Rot. Bonds3

About (1R)-1-(3,5-dichloro-2-methoxyphenyl)ethane-1,2-diamine

(1R)-1-(3,5-dichloro-2-methoxyphenyl)ethane-1,2-diamine (PubChem CID 66517963) has the molecular formula C9H12Cl2N2O and a molecular weight of 235.11 g/mol. Its IUPAC name is (1R)-1-(3,5-dichloro-2-methoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name(1R)-1-(3,5-dichloro-2-methoxyphenyl)ethane-1,2-diamine
PubChem CID66517963
Molecular FormulaC9H12Cl2N2O
Molecular Weight235.11 g/mol
Exact Mass234.03
IUPAC Name(1R)-1-(3,5-dichloro-2-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1c(Cl)cc(Cl)cc1[C@@H](N)CN
InChIInChI=1S/C9H12Cl2N2O/c1-14-9-6(8(13)4-12)2-5(10)3-7(9)11/h2-3,8H,4,12-13H2,1H3/t8-/m0/s1
InChIKeyRFEJSTLCYFFGHF-QMMMGPOBSA-N
XLogP1.96
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.11
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(3,5-dichloro-2-methoxyphenyl)ethanethiol
CID 116830511
(1R)-1-(5-chloro-2,3-dimethoxyphenyl)ethane-1,2-diamine
CID 66518018
1-(3,5-dichloro-2-fluorophenyl)ethane-1,2-diamine
CID 77131124
1-(3,5-dichloro-2-methoxyphenyl)ethanol
CID 82267021
2-amino-1-(3,5-dichloro-2-methoxyphenyl)butane-1,4-diol
CID 83941077
1-(3,5-dichloro-2-methoxyphenyl)-2-methylsulfanylethanol
CID 116830202
2-(3,5-dichloro-2-methoxyphenyl)butan-1-ol
CID 116964127
3-(3,5-dichloro-2-methoxyphenyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 83941084
1-(3-bromo-5-chloro-2-methoxyphenyl)decan-1-amine
CID 65447812
1-(3-chloro-2-ethoxy-5-ethylphenyl)ethane-1,2-diamine
CID 170894996
1-(3,5-dichloro-4-methoxyphenyl)butan-1-amine
CID 82550774
4-(3,5-dichloro-2-methoxyphenyl)-2-methylbutan-1-amine
CID 116924959

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3,5-dichloro-2-methoxyphenyl)ethane-1,2-diamine?
The IUPAC name of (1R)-1-(3,5-dichloro-2-methoxyphenyl)ethane-1,2-diamine (CID 66517963) is (1R)-1-(3,5-dichloro-2-methoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for (1R)-1-(3,5-dichloro-2-methoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for (1R)-1-(3,5-dichloro-2-methoxyphenyl)ethane-1,2-diamine is COc1c(Cl)cc(Cl)cc1[C@@H](N)CN.
What is the InChIKey of (1R)-1-(3,5-dichloro-2-methoxyphenyl)ethane-1,2-diamine?
The InChIKey is RFEJSTLCYFFGHF-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H12Cl2N2O/c1-14-9-6(8(13)4-12)2-5(10)3-7(9)11/h2-3,8H,4,12-13H2,1H3/t8-/m0/s1.
What are the key properties of (1R)-1-(3,5-dichloro-2-methoxyphenyl)ethane-1,2-diamine?
(1R)-1-(3,5-dichloro-2-methoxyphenyl)ethane-1,2-diamine has a molecular weight of 235.11 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3,5-dichloro-2-methoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 66517963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).