(1R)-1-(5-chloro-2-methoxy-4-methylphenyl)ethane-1,2-diamine

C10H15ClN2O — CID 66517766

IUPAC(1R)-1-(5-chloro-2-methoxy-4-methylphenyl)ethane-1,2-diamine
SMILESCOc1cc(C)c(Cl)cc1[C@@H](N)CN
InChIInChI=1S/C10H15ClN2O/c1-6-3-10(14-2)7(4-8(6)11)9(13)5-12/h3-4,9H,5,12-13H2,1-2H3/t9-/m0/s1
InChIKeyOOSRWAYYMHVZPB-VIFPVBQESA-N
MW214.70 g/mol
LogP1.62
Rot. Bonds3

About (1R)-1-(5-chloro-2-methoxy-4-methylphenyl)ethane-1,2-diamine

(1R)-1-(5-chloro-2-methoxy-4-methylphenyl)ethane-1,2-diamine (PubChem CID 66517766) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is (1R)-1-(5-chloro-2-methoxy-4-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name(1R)-1-(5-chloro-2-methoxy-4-methylphenyl)ethane-1,2-diamine
PubChem CID66517766
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name(1R)-1-(5-chloro-2-methoxy-4-methylphenyl)ethane-1,2-diamine
SMILESCOc1cc(C)c(Cl)cc1[C@@H](N)CN
InChIInChI=1S/C10H15ClN2O/c1-6-3-10(14-2)7(4-8(6)11)9(13)5-12/h3-4,9H,5,12-13H2,1-2H3/t9-/m0/s1
InChIKeyOOSRWAYYMHVZPB-VIFPVBQESA-N
XLogP1.62
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methoxy-4-methylphenyl)butane-1,4-diamine
CID 116933715
1-(5-chloro-2-methoxy-4-methylphenyl)-2-methylpropane-1,3-diamine
CID 116933090
amino-(5-chloro-2-methoxy-4-methylphenyl)methanethiol
CID 116939471
1-(5-chloro-2-methoxy-4-methylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 116935045
2-[1-(5-chloro-2-methoxy-4-methylphenyl)ethyl]propane-1,3-diamine
CID 83937480
3-amino-2-(5-chloro-2-methoxy-4-methylphenyl)propan-1-ol
CID 82288669
(1S)-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine
CID 66517496
1-amino-4-(5-chloro-2-methoxy-4-methylphenyl)pentan-2-ol
CID 83937557
(1S)-1-(5-chloro-2-methoxy-4-methylphenyl)prop-2-en-1-amine
CID 130747269
2-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine
CID 82284471
1-(5-chloro-2-methoxy-4-methylphenyl)ethanol
CID 82265131
1-(2-ethoxy-4,5-dimethylphenyl)ethane-1,2-diamine
CID 66516824

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-chloro-2-methoxy-4-methylphenyl)ethane-1,2-diamine?
The IUPAC name of (1R)-1-(5-chloro-2-methoxy-4-methylphenyl)ethane-1,2-diamine (CID 66517766) is (1R)-1-(5-chloro-2-methoxy-4-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for (1R)-1-(5-chloro-2-methoxy-4-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for (1R)-1-(5-chloro-2-methoxy-4-methylphenyl)ethane-1,2-diamine is COc1cc(C)c(Cl)cc1[C@@H](N)CN.
What is the InChIKey of (1R)-1-(5-chloro-2-methoxy-4-methylphenyl)ethane-1,2-diamine?
The InChIKey is OOSRWAYYMHVZPB-VIFPVBQESA-N. The full InChI is InChI=1S/C10H15ClN2O/c1-6-3-10(14-2)7(4-8(6)11)9(13)5-12/h3-4,9H,5,12-13H2,1-2H3/t9-/m0/s1.
What are the key properties of (1R)-1-(5-chloro-2-methoxy-4-methylphenyl)ethane-1,2-diamine?
(1R)-1-(5-chloro-2-methoxy-4-methylphenyl)ethane-1,2-diamine has a molecular weight of 214.70 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-chloro-2-methoxy-4-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 66517766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).