(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butan-1-amine;hydrochloride

C19H26ClNO3 — CID 171214333

IUPAC(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butan-1-amine;hydrochloride
SMILESCCC[C@@H](N)c1cc(OC)c(OC)cc1OCc1ccccc1.Cl
InChIInChI=1S/C19H25NO3.ClH/c1-4-8-16(20)15-11-18(21-2)19(22-3)12-17(15)23-13-14-9-6-5-7-10-14;/h5-7,9-12,16H,4,8,13,20H2,1-3H3;1H/t16-;/m1./s1
InChIKeyVWHHKOKOICGTAW-PKLMIRHRSA-N
MW351.87 g/mol
LogP4.50
Rot. Bonds8

About (1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butan-1-amine;hydrochloride

(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butan-1-amine;hydrochloride (PubChem CID 171214333) has the molecular formula C19H26ClNO3 and a molecular weight of 351.87 g/mol. Its IUPAC name is (1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butan-1-amine;hydrochloride
PubChem CID171214333
Molecular FormulaC19H26ClNO3
Molecular Weight351.87 g/mol
Exact Mass351.16
IUPAC Name(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butan-1-amine;hydrochloride
SMILESCCC[C@@H](N)c1cc(OC)c(OC)cc1OCc1ccccc1.Cl
InChIInChI=1S/C19H25NO3.ClH/c1-4-8-16(20)15-11-18(21-2)19(22-3)12-17(15)23-13-14-9-6-5-7-10-14;/h5-7,9-12,16H,4,8,13,20H2,1-3H3;1H/t16-;/m1./s1
InChIKeyVWHHKOKOICGTAW-PKLMIRHRSA-N
XLogP4.50
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.87
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butan-1-amine;hydrochloride 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

(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-4-methylpentan-1-amine
CID 171214368
(3R)-3-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-1-ol
CID 171214375
(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butane-1,4-diamine
CID 171214322
(1S)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)ethane-1,2-diamine
CID 171214318
(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171214345
(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171214367
(1S)-2-cyclopropyl-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171233973
(3R)-3-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propanenitrile
CID 171260650
(S)-cyclopropyl-(4,5-dimethoxy-2-phenylmethoxyphenyl)methanamine;hydrochloride
CID 171233983
1-butan-2-yl-4,5-dimethoxy-2-phenylmethoxybenzene
CID 10804189
(1R,2S)-1-amino-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-2-ol
CID 171265334
(3R)-3-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171251150

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butan-1-amine;hydrochloride (CID 171214333) is (1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butan-1-amine;hydrochloride is CCC[C@@H](N)c1cc(OC)c(OC)cc1OCc1ccccc1.Cl.
What is the InChIKey of (1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butan-1-amine;hydrochloride?
The InChIKey is VWHHKOKOICGTAW-PKLMIRHRSA-N. The full InChI is InChI=1S/C19H25NO3.ClH/c1-4-8-16(20)15-11-18(21-2)19(22-3)12-17(15)23-13-14-9-6-5-7-10-14;/h5-7,9-12,16H,4,8,13,20H2,1-3H3;1H/t16-;/m1./s1.
What are the key properties of (1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butan-1-amine;hydrochloride?
(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butan-1-amine;hydrochloride has a molecular weight of 351.87 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butan-1-amine;hydrochloride is sourced from PubChem (CID 171214333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).