(1S)-1-[2-[(3-methoxyphenyl)methyl-methylamino]phenyl]propan-1-ol

C18H23NO2 — CID 103959837

IUPAC(1S)-1-[2-[(3-methoxyphenyl)methyl-methylamino]phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccccc1N(C)Cc1cccc(OC)c1
InChIInChI=1S/C18H23NO2/c1-4-18(20)16-10-5-6-11-17(16)19(2)13-14-8-7-9-15(12-14)21-3/h5-12,18,20H,4,13H2,1-3H3/t18-/m0/s1
InChIKeyZBZQRBHFRZQYJX-SFHVURJKSA-N
MW285.39 g/mol
LogP3.78
Rot. Bonds6

About (1S)-1-[2-[(3-methoxyphenyl)methyl-methylamino]phenyl]propan-1-ol

(1S)-1-[2-[(3-methoxyphenyl)methyl-methylamino]phenyl]propan-1-ol (PubChem CID 103959837) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is (1S)-1-[2-[(3-methoxyphenyl)methyl-methylamino]phenyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[2-[(3-methoxyphenyl)methyl-methylamino]phenyl]propan-1-ol
PubChem CID103959837
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name(1S)-1-[2-[(3-methoxyphenyl)methyl-methylamino]phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccccc1N(C)Cc1cccc(OC)c1
InChIInChI=1S/C18H23NO2/c1-4-18(20)16-10-5-6-11-17(16)19(2)13-14-8-7-9-15(12-14)21-3/h5-12,18,20H,4,13H2,1-3H3/t18-/m0/s1
InChIKeyZBZQRBHFRZQYJX-SFHVURJKSA-N
XLogP3.78
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(3-methoxyphenyl)methyl-methylamino]benzoate
CID 60694372
(1R)-1-[2-[methyl(pyridin-4-ylmethyl)amino]phenyl]propan-1-ol
CID 103959768
N-[(3-methoxyphenyl)methyl]-N-methylaniline
CID 66916764
N-[(3-methoxyphenyl)methyl]-N-methyl-2-(methylaminomethyl)aniline
CID 61417843
1-[2-[3-methoxypropyl(methyl)amino]phenyl]propan-1-ol
CID 112678949
2-(1-aminopropyl)-N-[(4-methoxyphenyl)methyl]-N-methylaniline
CID 115994942
2-(1-aminoethyl)-3-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylaniline
CID 61417784
2-(3-methoxyphenyl)-1-(2-methylphenyl)ethanol
CID 61262736
1-[2-(2-methoxy-N-methylanilino)phenyl]propan-1-ol
CID 115995973
1-[2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]phenyl]propan-1-ol
CID 115996041
2-bromo-6-[(3-methoxyphenyl)methyl-methylamino]benzonitrile
CID 114880703
3-[(3-methoxyphenyl)methyl-methylamino]propane-1,2-diol
CID 78907088

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[(3-methoxyphenyl)methyl-methylamino]phenyl]propan-1-ol?
The IUPAC name of (1S)-1-[2-[(3-methoxyphenyl)methyl-methylamino]phenyl]propan-1-ol (CID 103959837) is (1S)-1-[2-[(3-methoxyphenyl)methyl-methylamino]phenyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[2-[(3-methoxyphenyl)methyl-methylamino]phenyl]propan-1-ol?
The canonical SMILES for (1S)-1-[2-[(3-methoxyphenyl)methyl-methylamino]phenyl]propan-1-ol is CC[C@H](O)c1ccccc1N(C)Cc1cccc(OC)c1.
What is the InChIKey of (1S)-1-[2-[(3-methoxyphenyl)methyl-methylamino]phenyl]propan-1-ol?
The InChIKey is ZBZQRBHFRZQYJX-SFHVURJKSA-N. The full InChI is InChI=1S/C18H23NO2/c1-4-18(20)16-10-5-6-11-17(16)19(2)13-14-8-7-9-15(12-14)21-3/h5-12,18,20H,4,13H2,1-3H3/t18-/m0/s1.
What are the key properties of (1S)-1-[2-[(3-methoxyphenyl)methyl-methylamino]phenyl]propan-1-ol?
(1S)-1-[2-[(3-methoxyphenyl)methyl-methylamino]phenyl]propan-1-ol has a molecular weight of 285.39 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[(3-methoxyphenyl)methyl-methylamino]phenyl]propan-1-ol is sourced from PubChem (CID 103959837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).