(1R)-1-(5-chloro-2,3-dimethoxyphenyl)ethane-1,2-diamine

C10H15ClN2O2 — CID 66518018

IUPAC(1R)-1-(5-chloro-2,3-dimethoxyphenyl)ethane-1,2-diamine
SMILESCOc1cc(Cl)cc([C@@H](N)CN)c1OC
InChIInChI=1S/C10H15ClN2O2/c1-14-9-4-6(11)3-7(8(13)5-12)10(9)15-2/h3-4,8H,5,12-13H2,1-2H3/t8-/m0/s1
InChIKeyLUDDMLSBUJFSHF-QMMMGPOBSA-N
MW230.69 g/mol
LogP1.32
Rot. Bonds4

About (1R)-1-(5-chloro-2,3-dimethoxyphenyl)ethane-1,2-diamine

(1R)-1-(5-chloro-2,3-dimethoxyphenyl)ethane-1,2-diamine (PubChem CID 66518018) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.69 g/mol. Its IUPAC name is (1R)-1-(5-chloro-2,3-dimethoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name(1R)-1-(5-chloro-2,3-dimethoxyphenyl)ethane-1,2-diamine
PubChem CID66518018
Molecular FormulaC10H15ClN2O2
Molecular Weight230.69 g/mol
Exact Mass230.08
IUPAC Name(1R)-1-(5-chloro-2,3-dimethoxyphenyl)ethane-1,2-diamine
SMILESCOc1cc(Cl)cc([C@@H](N)CN)c1OC
InChIInChI=1S/C10H15ClN2O2/c1-14-9-4-6(11)3-7(8(13)5-12)10(9)15-2/h3-4,8H,5,12-13H2,1-2H3/t8-/m0/s1
InChIKeyLUDDMLSBUJFSHF-QMMMGPOBSA-N
XLogP1.32
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(3,5-dichloro-2-methoxyphenyl)ethane-1,2-diamine
CID 66517963
(1S)-1-(2,3-dimethoxyphenyl)ethane-1,2-diamine
CID 55278892
(1S)-1-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171199595
(1S)-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine
CID 66517496
3-amino-3-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)propanoic acid
CID 117464423
2-amino-2-(3,5-dichloro-2-methoxyphenyl)ethanethiol
CID 116830511
(1R)-1-(5-chloro-2-methoxy-4-methylphenyl)ethane-1,2-diamine
CID 66517766
1-(3-bromo-4,5-dimethoxyphenyl)ethane-1,2-diamine
CID 170894695
1-(4-chloro-2-fluoro-5-methoxyphenyl)ethane-1,2-diamine
CID 66517708
1-(3-bromo-5-chloro-2-methoxyphenyl)decan-1-amine
CID 65447812
(1S)-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 51699599
6-[(1S)-1,2-diaminoethyl]-2,3-dimethoxyphenol
CID 66516816

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-chloro-2,3-dimethoxyphenyl)ethane-1,2-diamine?
The IUPAC name of (1R)-1-(5-chloro-2,3-dimethoxyphenyl)ethane-1,2-diamine (CID 66518018) is (1R)-1-(5-chloro-2,3-dimethoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for (1R)-1-(5-chloro-2,3-dimethoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for (1R)-1-(5-chloro-2,3-dimethoxyphenyl)ethane-1,2-diamine is COc1cc(Cl)cc([C@@H](N)CN)c1OC.
What is the InChIKey of (1R)-1-(5-chloro-2,3-dimethoxyphenyl)ethane-1,2-diamine?
The InChIKey is LUDDMLSBUJFSHF-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15ClN2O2/c1-14-9-4-6(11)3-7(8(13)5-12)10(9)15-2/h3-4,8H,5,12-13H2,1-2H3/t8-/m0/s1.
What are the key properties of (1R)-1-(5-chloro-2,3-dimethoxyphenyl)ethane-1,2-diamine?
(1R)-1-(5-chloro-2,3-dimethoxyphenyl)ethane-1,2-diamine has a molecular weight of 230.69 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-chloro-2,3-dimethoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 66518018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).