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

C10H16N2O — CID 130648897

IUPAC(1R)-1-(5-methoxy-2-methylphenyl)ethane-1,2-diamine
SMILESCOc1ccc(C)c([C@@H](N)CN)c1
InChIInChI=1S/C10H16N2O/c1-7-3-4-8(13-2)5-9(7)10(12)6-11/h3-5,10H,6,11-12H2,1-2H3/t10-/m0/s1
InChIKeyBPOYASXAQIPZDV-JTQLQIEISA-N
MW180.25 g/mol
LogP0.96
Rot. Bonds3

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

(1R)-1-(5-methoxy-2-methylphenyl)ethane-1,2-diamine (PubChem CID 130648897) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is (1R)-1-(5-methoxy-2-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name(1R)-1-(5-methoxy-2-methylphenyl)ethane-1,2-diamine
PubChem CID130648897
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name(1R)-1-(5-methoxy-2-methylphenyl)ethane-1,2-diamine
SMILESCOc1ccc(C)c([C@@H](N)CN)c1
InChIInChI=1S/C10H16N2O/c1-7-3-4-8(13-2)5-9(7)10(12)6-11/h3-5,10H,6,11-12H2,1-2H3/t10-/m0/s1
InChIKeyBPOYASXAQIPZDV-JTQLQIEISA-N
XLogP0.96
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(2-bromo-5-methoxyphenyl)ethane-1,2-diamine
CID 130673057
2-(1,2-diaminoethyl)-4-methoxyphenol
CID 55282717
(1R)-1-(2-bromo-5-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171224399
1-(2-bromo-4-methoxyphenyl)ethane-1,2-diamine
CID 126973068
(1S)-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201072
(1R)-1-[4-methoxy-2-(trifluoromethyl)phenyl]ethane-1,2-diamine;hydrochloride
CID 171227707
2-[1-(4-methoxy-2-methylphenyl)ethyl]propane-1,3-diamine
CID 83936405
1-(5-methoxy-2-methylphenyl)ethanol
CID 84652412
1-(2-bromo-5-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanamine
CID 62538802
(1R)-1-(2-bromo-5-methoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171204828
1-(5-methoxy-1-methylindol-3-yl)ethane-1,2-diamine
CID 170894776
(1R)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride
CID 168719792

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-methoxy-2-methylphenyl)ethane-1,2-diamine?
The IUPAC name of (1R)-1-(5-methoxy-2-methylphenyl)ethane-1,2-diamine (CID 130648897) is (1R)-1-(5-methoxy-2-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for (1R)-1-(5-methoxy-2-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for (1R)-1-(5-methoxy-2-methylphenyl)ethane-1,2-diamine is COc1ccc(C)c([C@@H](N)CN)c1.
What is the InChIKey of (1R)-1-(5-methoxy-2-methylphenyl)ethane-1,2-diamine?
The InChIKey is BPOYASXAQIPZDV-JTQLQIEISA-N. The full InChI is InChI=1S/C10H16N2O/c1-7-3-4-8(13-2)5-9(7)10(12)6-11/h3-5,10H,6,11-12H2,1-2H3/t10-/m0/s1.
What are the key properties of (1R)-1-(5-methoxy-2-methylphenyl)ethane-1,2-diamine?
(1R)-1-(5-methoxy-2-methylphenyl)ethane-1,2-diamine has a molecular weight of 180.25 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-methoxy-2-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 130648897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).