(2R)-1-[2,5-dimethoxy-4-[(3-methoxyphenyl)methyl]phenyl]propan-2-amine;hydrochloride

C19H26ClNO3 — CID 69398497

IUPAC(2R)-1-[2,5-dimethoxy-4-[(3-methoxyphenyl)methyl]phenyl]propan-2-amine;hydrochloride
SMILESCOc1cccc(Cc2cc(OC)c(C[C@@H](C)N)cc2OC)c1.Cl
InChIInChI=1S/C19H25NO3.ClH/c1-13(20)8-15-11-19(23-4)16(12-18(15)22-3)9-14-6-5-7-17(10-14)21-2;/h5-7,10-13H,8-9,20H2,1-4H3;1H/t13-;/m1./s1
InChIKeySFTGJJCSBDPYNG-BTQNPOSSSA-N
MW351.87 g/mol
LogP3.61
Rot. Bonds7

About (2R)-1-[2,5-dimethoxy-4-[(3-methoxyphenyl)methyl]phenyl]propan-2-amine;hydrochloride

(2R)-1-[2,5-dimethoxy-4-[(3-methoxyphenyl)methyl]phenyl]propan-2-amine;hydrochloride (PubChem CID 69398497) has the molecular formula C19H26ClNO3 and a molecular weight of 351.87 g/mol. Its IUPAC name is (2R)-1-[2,5-dimethoxy-4-[(3-methoxyphenyl)methyl]phenyl]propan-2-amine;hydrochloride.

Molecular Properties

Compound Name(2R)-1-[2,5-dimethoxy-4-[(3-methoxyphenyl)methyl]phenyl]propan-2-amine;hydrochloride
PubChem CID69398497
Molecular FormulaC19H26ClNO3
Molecular Weight351.87 g/mol
Exact Mass351.16
IUPAC Name(2R)-1-[2,5-dimethoxy-4-[(3-methoxyphenyl)methyl]phenyl]propan-2-amine;hydrochloride
SMILESCOc1cccc(Cc2cc(OC)c(C[C@@H](C)N)cc2OC)c1.Cl
InChIInChI=1S/C19H25NO3.ClH/c1-13(20)8-15-11-19(23-4)16(12-18(15)22-3)9-14-6-5-7-17(10-14)21-2;/h5-7,10-13H,8-9,20H2,1-4H3;1H/t13-;/m1./s1
InChIKeySFTGJJCSBDPYNG-BTQNPOSSSA-N
XLogP3.61
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.87
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(4-benzyl-2,5-dimethoxyphenyl)propan-2-amine
CID 69398998
2,4-dimethoxy-1-[(3-methoxyphenyl)methyl]benzene
CID 173405518
1-[3-(2-methoxyphenoxy)phenyl]propan-2-amine
CID 63943521
1-[3-(3,5-dimethoxyphenoxy)phenyl]propan-2-amine
CID 63941754
4-(3-methoxyphenyl)-3-methylbutan-2-amine
CID 60995099
1-[3-fluoro-2-[(3-methoxyphenyl)methoxy]phenyl]propan-2-amine
CID 115958705
1-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 62653786
[3-[(2,5-dimethoxyphenyl)methyl]phenyl]methanamine
CID 116926180
(2S)-1-(2,5-dimethoxy-4-propylphenyl)propan-2-amine
CID 121489695
1-chloro-2-(3-methoxyphenyl)ethanamine
CID 67681258
3-fluoro-4-(3-methoxyphenyl)butan-2-amine
CID 105450748
1,2-bis(3-methoxyphenyl)ethanamine;hydrochloride
CID 54599738

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2,5-dimethoxy-4-[(3-methoxyphenyl)methyl]phenyl]propan-2-amine;hydrochloride?
The IUPAC name of (2R)-1-[2,5-dimethoxy-4-[(3-methoxyphenyl)methyl]phenyl]propan-2-amine;hydrochloride (CID 69398497) is (2R)-1-[2,5-dimethoxy-4-[(3-methoxyphenyl)methyl]phenyl]propan-2-amine;hydrochloride.
What is the SMILES notation for (2R)-1-[2,5-dimethoxy-4-[(3-methoxyphenyl)methyl]phenyl]propan-2-amine;hydrochloride?
The canonical SMILES for (2R)-1-[2,5-dimethoxy-4-[(3-methoxyphenyl)methyl]phenyl]propan-2-amine;hydrochloride is COc1cccc(Cc2cc(OC)c(C[C@@H](C)N)cc2OC)c1.Cl.
What is the InChIKey of (2R)-1-[2,5-dimethoxy-4-[(3-methoxyphenyl)methyl]phenyl]propan-2-amine;hydrochloride?
The InChIKey is SFTGJJCSBDPYNG-BTQNPOSSSA-N. The full InChI is InChI=1S/C19H25NO3.ClH/c1-13(20)8-15-11-19(23-4)16(12-18(15)22-3)9-14-6-5-7-17(10-14)21-2;/h5-7,10-13H,8-9,20H2,1-4H3;1H/t13-;/m1./s1.
What are the key properties of (2R)-1-[2,5-dimethoxy-4-[(3-methoxyphenyl)methyl]phenyl]propan-2-amine;hydrochloride?
(2R)-1-[2,5-dimethoxy-4-[(3-methoxyphenyl)methyl]phenyl]propan-2-amine;hydrochloride has a molecular weight of 351.87 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2,5-dimethoxy-4-[(3-methoxyphenyl)methyl]phenyl]propan-2-amine;hydrochloride is sourced from PubChem (CID 69398497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).