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

C20H28ClNO3 — CID 171214367

IUPAC(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-2-methylbutan-1-amine;hydrochloride
SMILESCCC(C)[C@@H](N)c1cc(OC)c(OC)cc1OCc1ccccc1.Cl
InChIInChI=1S/C20H27NO3.ClH/c1-5-14(2)20(21)16-11-18(22-3)19(23-4)12-17(16)24-13-15-9-7-6-8-10-15;/h6-12,14,20H,5,13,21H2,1-4H3;1H/t14?,20-;/m1./s1
InChIKeyPNOPBPBXZYQMKU-QYZPCVFLSA-N
MW365.90 g/mol
LogP4.75
Rot. Bonds8

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

(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-2-methylbutan-1-amine;hydrochloride (PubChem CID 171214367) has the molecular formula C20H28ClNO3 and a molecular weight of 365.90 g/mol. Its IUPAC name is (1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-2-methylbutan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-2-methylbutan-1-amine;hydrochloride
PubChem CID171214367
Molecular FormulaC20H28ClNO3
Molecular Weight365.90 g/mol
Exact Mass365.18
IUPAC Name(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-2-methylbutan-1-amine;hydrochloride
SMILESCCC(C)[C@@H](N)c1cc(OC)c(OC)cc1OCc1ccccc1.Cl
InChIInChI=1S/C20H27NO3.ClH/c1-5-14(2)20(21)16-11-18(22-3)19(23-4)12-17(16)24-13-15-9-7-6-8-10-15;/h6-12,14,20H,5,13,21H2,1-4H3;1H/t14?,20-;/m1./s1
InChIKeyPNOPBPBXZYQMKU-QYZPCVFLSA-N
XLogP4.75
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.90
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,2S)-1-amino-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-2-ol
CID 171265334
1-butan-2-yl-4,5-dimethoxy-2-phenylmethoxybenzene
CID 10804189
(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butan-1-amine;hydrochloride
CID 171214333
(1S)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)ethane-1,2-diamine
CID 171214318
(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-4-methylpentan-1-amine
CID 171214368
(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171214345
(1S,2R)-2-amino-1-cyclopropyl-2-(4,5-dimethoxy-2-phenylmethoxyphenyl)ethanol
CID 171265338
(S)-cyclopropyl-(4,5-dimethoxy-2-phenylmethoxyphenyl)methanamine;hydrochloride
CID 171233983
(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butane-1,4-diamine
CID 171214322
(3R)-3-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-1-ol
CID 171214375
(3R)-3-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171251150
(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride
CID 171312678

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-2-methylbutan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-2-methylbutan-1-amine;hydrochloride (CID 171214367) is (1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-2-methylbutan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-2-methylbutan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-2-methylbutan-1-amine;hydrochloride is CCC(C)[C@@H](N)c1cc(OC)c(OC)cc1OCc1ccccc1.Cl.
What is the InChIKey of (1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-2-methylbutan-1-amine;hydrochloride?
The InChIKey is PNOPBPBXZYQMKU-QYZPCVFLSA-N. The full InChI is InChI=1S/C20H27NO3.ClH/c1-5-14(2)20(21)16-11-18(22-3)19(23-4)12-17(16)24-13-15-9-7-6-8-10-15;/h6-12,14,20H,5,13,21H2,1-4H3;1H/t14?,20-;/m1./s1.
What are the key properties of (1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-2-methylbutan-1-amine;hydrochloride?
(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-2-methylbutan-1-amine;hydrochloride has a molecular weight of 365.90 g/mol, XLogP of 4.75, 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)-2-methylbutan-1-amine;hydrochloride is sourced from PubChem (CID 171214367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).