(1S)-1-(2,4-dimethoxyphenyl)propane-1,3-diamine

C11H18N2O2 — CID 171220608

IUPAC(1S)-1-(2,4-dimethoxyphenyl)propane-1,3-diamine
SMILESCOc1ccc([C@@H](N)CCN)c(OC)c1
InChIInChI=1S/C11H18N2O2/c1-14-8-3-4-9(10(13)5-6-12)11(7-8)15-2/h3-4,7,10H,5-6,12-13H2,1-2H3/t10-/m0/s1
InChIKeyCQFGUAZDYNCAAT-JTQLQIEISA-N
MW210.28 g/mol
LogP1.05
Rot. Bonds5

About (1S)-1-(2,4-dimethoxyphenyl)propane-1,3-diamine

(1S)-1-(2,4-dimethoxyphenyl)propane-1,3-diamine (PubChem CID 171220608) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is (1S)-1-(2,4-dimethoxyphenyl)propane-1,3-diamine.

Molecular Properties

Compound Name(1S)-1-(2,4-dimethoxyphenyl)propane-1,3-diamine
PubChem CID171220608
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name(1S)-1-(2,4-dimethoxyphenyl)propane-1,3-diamine
SMILESCOc1ccc([C@@H](N)CCN)c(OC)c1
InChIInChI=1S/C11H18N2O2/c1-14-8-3-4-9(10(13)5-6-12)11(7-8)15-2/h3-4,7,10H,5-6,12-13H2,1-2H3/t10-/m0/s1
InChIKeyCQFGUAZDYNCAAT-JTQLQIEISA-N
XLogP1.05
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(2,4-dimethoxyphenyl)-3-fluoropropan-1-amine
CID 171201093
4-amino-4-(2,4-dimethoxyphenyl)butan-1-ol
CID 116861411
(1S)-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201072
(1S)-1-(2,4-dimethoxyphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171220642
(1R)-1-[2-methoxy-4-(trifluoromethoxy)phenyl]propane-1,3-diamine;hydrochloride
CID 171216551
(1S)-1-(2-fluoro-4-methoxyphenyl)propane-1,3-diamine
CID 171219591
2-chloro-1-(2,4-dimethoxyphenyl)ethanamine
CID 116937529
4-amino-1-(2,4-dimethoxyphenyl)butan-1-ol
CID 112507580
1-(2,4-dimethoxyphenyl)-3-phenoxypropan-1-amine
CID 62802951
2-amino-2-(2,4-dimethoxyphenyl)ethanol;hydrochloride
CID 162344444
1-(2,4-dimethoxyphenyl)-N,N-dimethylpropane-1,3-diamine
CID 112508474
(1R)-1-(2-bromo-5-methoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171204828

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,4-dimethoxyphenyl)propane-1,3-diamine?
The IUPAC name of (1S)-1-(2,4-dimethoxyphenyl)propane-1,3-diamine (CID 171220608) is (1S)-1-(2,4-dimethoxyphenyl)propane-1,3-diamine.
What is the SMILES notation for (1S)-1-(2,4-dimethoxyphenyl)propane-1,3-diamine?
The canonical SMILES for (1S)-1-(2,4-dimethoxyphenyl)propane-1,3-diamine is COc1ccc([C@@H](N)CCN)c(OC)c1.
What is the InChIKey of (1S)-1-(2,4-dimethoxyphenyl)propane-1,3-diamine?
The InChIKey is CQFGUAZDYNCAAT-JTQLQIEISA-N. The full InChI is InChI=1S/C11H18N2O2/c1-14-8-3-4-9(10(13)5-6-12)11(7-8)15-2/h3-4,7,10H,5-6,12-13H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-(2,4-dimethoxyphenyl)propane-1,3-diamine?
(1S)-1-(2,4-dimethoxyphenyl)propane-1,3-diamine has a molecular weight of 210.28 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,4-dimethoxyphenyl)propane-1,3-diamine is sourced from PubChem (CID 171220608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).