1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)propan-1-amine;hydron;chloride

C18H22ClNO3 — CID 51056094

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)propan-1-amine;hydron;chloride
SMILESCOc1ccc(CCC(N)c2ccc3c(c2)OCCO3)cc1.[Cl-].[H+]
InChIInChI=1S/C18H21NO3.ClH/c1-20-15-6-2-13(3-7-15)4-8-16(19)14-5-9-17-18(12-14)22-11-10-21-17;/h2-3,5-7,9,12,16H,4,8,10-11,19H2,1H3;1H
InChIKeyKDKIDISHEXJWNR-UHFFFAOYSA-N
MW335.83 g/mol
LogP0.22
Rot. Bonds5

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)propan-1-amine;hydron;chloride

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)propan-1-amine;hydron;chloride (PubChem CID 51056094) has the molecular formula C18H22ClNO3 and a molecular weight of 335.83 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)propan-1-amine;hydron;chloride.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)propan-1-amine;hydron;chloride
PubChem CID51056094
Molecular FormulaC18H22ClNO3
Molecular Weight335.83 g/mol
Exact Mass335.13
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)propan-1-amine;hydron;chloride
SMILESCOc1ccc(CCC(N)c2ccc3c(c2)OCCO3)cc1.[Cl-].[H+]
InChIInChI=1S/C18H21NO3.ClH/c1-20-15-6-2-13(3-7-15)4-8-16(19)14-5-9-17-18(12-14)22-11-10-21-17;/h2-3,5-7,9,12,16H,4,8,10-11,19H2,1H3;1H
InChIKeyKDKIDISHEXJWNR-UHFFFAOYSA-N
XLogP0.22
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.83
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)propan-1-amine;hydron;chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxypropan-1-amine
CID 62790727
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-amine
CID 28979698
3-(2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-amine
CID 2825472
methyl 4-amino-4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanoate
CID 60861818
1-(3-ethylphenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 105018704
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pentane-1,5-diamine
CID 171226610
(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-diamine;hydrochloride
CID 171207035
1-(3,4-dihydro-2H-chromen-6-yl)-2-(4-methoxyphenyl)ethanamine
CID 61026713
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyethoxy)ethanamine
CID 43183932
3-(4-methoxyphenyl)-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 43124177
6-[2-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]phenyl]ethyl]-2,3-dihydro-1,4-benzodioxine
CID 171715543
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
CID 104560709

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)propan-1-amine;hydron;chloride?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)propan-1-amine;hydron;chloride (CID 51056094) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)propan-1-amine;hydron;chloride.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)propan-1-amine;hydron;chloride?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)propan-1-amine;hydron;chloride is COc1ccc(CCC(N)c2ccc3c(c2)OCCO3)cc1.[Cl-].[H+].
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)propan-1-amine;hydron;chloride?
The InChIKey is KDKIDISHEXJWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3.ClH/c1-20-15-6-2-13(3-7-15)4-8-16(19)14-5-9-17-18(12-14)22-11-10-21-17;/h2-3,5-7,9,12,16H,4,8,10-11,19H2,1H3;1H.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)propan-1-amine;hydron;chloride?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)propan-1-amine;hydron;chloride has a molecular weight of 335.83 g/mol, XLogP of 0.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)propan-1-amine;hydron;chloride is sourced from PubChem (CID 51056094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).