(1R)-1-(4-ethoxyphenyl)propane-1,3-diamine;hydrochloride

C11H19ClN2O — CID 171200689

IUPAC(1R)-1-(4-ethoxyphenyl)propane-1,3-diamine;hydrochloride
SMILESCCOc1ccc([C@H](N)CCN)cc1.Cl
InChIInChI=1S/C11H18N2O.ClH/c1-2-14-10-5-3-9(4-6-10)11(13)7-8-12;/h3-6,11H,2,7-8,12-13H2,1H3;1H/t11-;/m1./s1
InChIKeyKWZAXIVGUFAQGA-RFVHGSKJSA-N
MW230.74 g/mol
LogP1.86
Rot. Bonds5

About (1R)-1-(4-ethoxyphenyl)propane-1,3-diamine;hydrochloride

(1R)-1-(4-ethoxyphenyl)propane-1,3-diamine;hydrochloride (PubChem CID 171200689) has the molecular formula C11H19ClN2O and a molecular weight of 230.74 g/mol. Its IUPAC name is (1R)-1-(4-ethoxyphenyl)propane-1,3-diamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(4-ethoxyphenyl)propane-1,3-diamine;hydrochloride
PubChem CID171200689
Molecular FormulaC11H19ClN2O
Molecular Weight230.74 g/mol
Exact Mass230.12
IUPAC Name(1R)-1-(4-ethoxyphenyl)propane-1,3-diamine;hydrochloride
SMILESCCOc1ccc([C@H](N)CCN)cc1.Cl
InChIInChI=1S/C11H18N2O.ClH/c1-2-14-10-5-3-9(4-6-10)11(13)7-8-12;/h3-6,11H,2,7-8,12-13H2,1H3;1H/t11-;/m1./s1
InChIKeyKWZAXIVGUFAQGA-RFVHGSKJSA-N
XLogP1.86
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.74
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(4-ethoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171220228
(1R)-1-(4-ethoxyphenyl)pentane-1,5-diamine
CID 171200692
(1S)-1-(4-ethoxyphenyl)pentan-1-amine;hydrochloride
CID 171220237
3-amino-3-(4-ethoxyphenyl)propan-1-ol
CID 3846701
1-(4-ethoxyphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 112517875
(1S)-1-(4-ethoxyphenyl)pent-4-en-1-amine
CID 171220253
4-amino-4-(4-ethoxyphenyl)butanenitrile
CID 116939991
(1S)-1-(4-propan-2-yloxyphenyl)propane-1,3-diamine;hydrochloride
CID 171230356
1-(4-ethoxyphenyl)-3-(4-methylphenyl)propan-1-amine
CID 105140871
methyl 4-amino-4-(4-ethoxyphenyl)butanoate
CID 60862003
(3S)-3-amino-3-(4-ethoxyphenyl)propanenitrile
CID 95436607
1-(4-ethoxyphenyl)-3,3,3-trifluoropropan-1-amine
CID 43197123

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-ethoxyphenyl)propane-1,3-diamine;hydrochloride?
The IUPAC name of (1R)-1-(4-ethoxyphenyl)propane-1,3-diamine;hydrochloride (CID 171200689) is (1R)-1-(4-ethoxyphenyl)propane-1,3-diamine;hydrochloride.
What is the SMILES notation for (1R)-1-(4-ethoxyphenyl)propane-1,3-diamine;hydrochloride?
The canonical SMILES for (1R)-1-(4-ethoxyphenyl)propane-1,3-diamine;hydrochloride is CCOc1ccc([C@H](N)CCN)cc1.Cl.
What is the InChIKey of (1R)-1-(4-ethoxyphenyl)propane-1,3-diamine;hydrochloride?
The InChIKey is KWZAXIVGUFAQGA-RFVHGSKJSA-N. The full InChI is InChI=1S/C11H18N2O.ClH/c1-2-14-10-5-3-9(4-6-10)11(13)7-8-12;/h3-6,11H,2,7-8,12-13H2,1H3;1H/t11-;/m1./s1.
What are the key properties of (1R)-1-(4-ethoxyphenyl)propane-1,3-diamine;hydrochloride?
(1R)-1-(4-ethoxyphenyl)propane-1,3-diamine;hydrochloride has a molecular weight of 230.74 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-ethoxyphenyl)propane-1,3-diamine;hydrochloride is sourced from PubChem (CID 171200689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).