(1R)-1-(2,5-dimethoxyphenyl)pent-4-en-1-amine;hydrochloride

C13H20ClNO2 — CID 171200247

IUPAC(1R)-1-(2,5-dimethoxyphenyl)pent-4-en-1-amine;hydrochloride
SMILESC=CCC[C@@H](N)c1cc(OC)ccc1OC.Cl
InChIInChI=1S/C13H19NO2.ClH/c1-4-5-6-12(14)11-9-10(15-2)7-8-13(11)16-3;/h4,7-9,12H,1,5-6,14H2,2-3H3;1H/t12-;/m1./s1
InChIKeyUTINLNIMWDBWDY-UTONKHPSSA-N
MW257.76 g/mol
LogP3.09
Rot. Bonds6

About (1R)-1-(2,5-dimethoxyphenyl)pent-4-en-1-amine;hydrochloride

(1R)-1-(2,5-dimethoxyphenyl)pent-4-en-1-amine;hydrochloride (PubChem CID 171200247) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is (1R)-1-(2,5-dimethoxyphenyl)pent-4-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(2,5-dimethoxyphenyl)pent-4-en-1-amine;hydrochloride
PubChem CID171200247
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name(1R)-1-(2,5-dimethoxyphenyl)pent-4-en-1-amine;hydrochloride
SMILESC=CCC[C@@H](N)c1cc(OC)ccc1OC.Cl
InChIInChI=1S/C13H19NO2.ClH/c1-4-5-6-12(14)11-9-10(15-2)7-8-13(11)16-3;/h4,7-9,12H,1,5-6,14H2,2-3H3;1H/t12-;/m1./s1
InChIKeyUTINLNIMWDBWDY-UTONKHPSSA-N
XLogP3.09
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 86262898
(1S)-1-(2,5-dimethoxyphenyl)pentan-1-amine;hydrochloride
CID 171219764
1-(2-methoxyphenyl)pent-4-en-1-amine
CID 15884723
1-(2,5-dimethoxyphenyl)-3-methoxypropan-1-amine
CID 62801010
(4R)-4-amino-4-(2,5-dimethoxyphenyl)butan-1-ol;hydrochloride
CID 171200259
(1R)-1-(2-fluoro-3-methoxyphenyl)pent-4-en-1-amine;hydrochloride
CID 171205721
1-(2,5-dimethoxyphenyl)-4-methylpentane-1,4-diamine
CID 116934724
(1S)-1-(2-chloro-3,4-dimethoxyphenyl)pent-4-en-1-amine
CID 171221566
(1R)-1-(4-bromo-2-methoxyphenyl)pent-4-en-1-amine
CID 171204809
1-(2,5-dimethoxyphenyl)-N-propylhex-5-en-1-amine
CID 104987020
1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine
CID 116932428
1-(2,4,5-trimethoxyphenyl)hex-5-en-1-amine
CID 104986654

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,5-dimethoxyphenyl)pent-4-en-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(2,5-dimethoxyphenyl)pent-4-en-1-amine;hydrochloride (CID 171200247) is (1R)-1-(2,5-dimethoxyphenyl)pent-4-en-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(2,5-dimethoxyphenyl)pent-4-en-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(2,5-dimethoxyphenyl)pent-4-en-1-amine;hydrochloride is C=CCC[C@@H](N)c1cc(OC)ccc1OC.Cl.
What is the InChIKey of (1R)-1-(2,5-dimethoxyphenyl)pent-4-en-1-amine;hydrochloride?
The InChIKey is UTINLNIMWDBWDY-UTONKHPSSA-N. The full InChI is InChI=1S/C13H19NO2.ClH/c1-4-5-6-12(14)11-9-10(15-2)7-8-13(11)16-3;/h4,7-9,12H,1,5-6,14H2,2-3H3;1H/t12-;/m1./s1.
What are the key properties of (1R)-1-(2,5-dimethoxyphenyl)pent-4-en-1-amine;hydrochloride?
(1R)-1-(2,5-dimethoxyphenyl)pent-4-en-1-amine;hydrochloride has a molecular weight of 257.76 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,5-dimethoxyphenyl)pent-4-en-1-amine;hydrochloride is sourced from PubChem (CID 171200247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).