2-[(3,4-dimethoxyphenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride

C18H24ClNO3 — CID 12999288

IUPAC2-[(3,4-dimethoxyphenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride
SMILESCOc1ccc(CNC(C)C(O)c2ccccc2)cc1OC.Cl
InChIInChI=1S/C18H23NO3.ClH/c1-13(18(20)15-7-5-4-6-8-15)19-12-14-9-10-16(21-2)17(11-14)22-3;/h4-11,13,18-20H,12H2,1-3H3;1H
InChIKeyBWZKVGKMUDJHQU-UHFFFAOYSA-N
MW337.85 g/mol
LogP3.34
Rot. Bonds7

About 2-[(3,4-dimethoxyphenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride

2-[(3,4-dimethoxyphenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride (PubChem CID 12999288) has the molecular formula C18H24ClNO3 and a molecular weight of 337.85 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride
PubChem CID12999288
Molecular FormulaC18H24ClNO3
Molecular Weight337.85 g/mol
Exact Mass337.14
IUPAC Name2-[(3,4-dimethoxyphenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride
SMILESCOc1ccc(CNC(C)C(O)c2ccccc2)cc1OC.Cl
InChIInChI=1S/C18H23NO3.ClH/c1-13(18(20)15-7-5-4-6-8-15)19-12-14-9-10-16(21-2)17(11-14)22-3;/h4-11,13,18-20H,12H2,1-3H3;1H
InChIKeyBWZKVGKMUDJHQU-UHFFFAOYSA-N
XLogP3.34
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,2S)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-phenylpropan-1-ol
CID 125467405
(1S,2R)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-phenylpropan-1-ol
CID 125467402
1-phenyl-2-[(2,4,5-trimethoxyphenyl)methylamino]propan-1-ol
CID 667229
(1S,2S)-2-[(4-methoxyphenyl)methylamino]-1-phenylpropan-1-ol
CID 10912623
2-[[3-methoxy-4-[[1-(4-methylphenyl)tetrazol-5-yl]methoxy]phenyl]methylamino]-1-phenylpropan-1-ol;hydrochloride
CID 17333414
2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride
CID 2979607
(1R,2S)-2-[(2-methoxyphenyl)methylamino]-1-phenylpropan-1-ol
CID 54310024
(1R,2S)-2-(naphthalen-2-ylmethylamino)-1-phenylpropan-1-ol
CID 101460872
(1R)-N-[(3,4-dimethoxyphenyl)methyl]-1-phenylethanamine;2,2,2-trifluoroacetic acid
CID 175721011
2-[[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylpropan-1-ol
CID 17054532
2-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]-1-phenylpropan-1-ol;hydrochloride
CID 17331742
2-[(3,4-dimethoxyphenyl)methylamino]-3-hydroxybutanoic acid
CID 82364254

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride (CID 12999288) is 2-[(3,4-dimethoxyphenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride is COc1ccc(CNC(C)C(O)c2ccccc2)cc1OC.Cl.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride?
The InChIKey is BWZKVGKMUDJHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3.ClH/c1-13(18(20)15-7-5-4-6-8-15)19-12-14-9-10-16(21-2)17(11-14)22-3;/h4-11,13,18-20H,12H2,1-3H3;1H.
What are the key properties of 2-[(3,4-dimethoxyphenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride?
2-[(3,4-dimethoxyphenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride has a molecular weight of 337.85 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxyphenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride is sourced from PubChem (CID 12999288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).