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

C17H21NO2 — CID 174622940

IUPAC1-[3-[(2-methoxyphenyl)methylamino]phenyl]propan-1-ol
SMILESCCC(O)c1cccc(NCc2ccccc2OC)c1
InChIInChI=1S/C17H21NO2/c1-3-16(19)13-8-6-9-15(11-13)18-12-14-7-4-5-10-17(14)20-2/h4-11,16,18-19H,3,12H2,1-2H3
InChIKeyZVYOWYJLGMFNNR-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.75
Rot. Bonds6

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

1-[3-[(2-methoxyphenyl)methylamino]phenyl]propan-1-ol (PubChem CID 174622940) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[3-[(2-methoxyphenyl)methylamino]phenyl]propan-1-ol.

Molecular Properties

Compound Name1-[3-[(2-methoxyphenyl)methylamino]phenyl]propan-1-ol
PubChem CID174622940
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name1-[3-[(2-methoxyphenyl)methylamino]phenyl]propan-1-ol
SMILESCCC(O)c1cccc(NCc2ccccc2OC)c1
InChIInChI=1S/C17H21NO2/c1-3-16(19)13-8-6-9-15(11-13)18-12-14-7-4-5-10-17(14)20-2/h4-11,16,18-19H,3,12H2,1-2H3
InChIKeyZVYOWYJLGMFNNR-UHFFFAOYSA-N
XLogP3.75
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-N-[(2-methoxyphenyl)methyl]aniline
CID 54800907
N-[(2-methoxyphenyl)methyl]-3-methylaniline;oxalic acid
CID 90483636
2-chloro-4-[(2-methoxyphenyl)methylamino]phenol
CID 107678386
3-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]aniline
CID 43768953
1-(3-fluorophenyl)-2-[(2-methoxyphenyl)methylamino]ethanol
CID 60896885
1-(3-bromophenyl)-2-[(2-methoxyphenyl)methylamino]ethanol
CID 23647926
2-ethyl-N-[4-[(2-methoxyphenyl)methylamino]phenyl]butanamide
CID 112982626
N-[(2-methoxyphenyl)methyl]-3-phenylmethoxyaniline
CID 54801294
3-(3-aminopropyl)-N-[(2-methoxyphenyl)methyl]aniline
CID 46194968
1-[3-(benzylamino)phenyl]butan-1-ol;1-[3-(benzylamino)phenyl]butan-1-one;3-butyl-N-[(2-methoxyphenyl)methyl]aniline;3-butyl-N-(2-phenylethyl)aniline;3-butyl-N-(3-phenylpropyl)aniline;1-[3-(3-phenylpropylamino)phenyl]butan-1-one
CID 157196608
1-[3-(3-phenylpropylamino)phenyl]propan-1-ol
CID 174622954
2-[[3-(difluoromethoxy)anilino]methyl]-6-methoxyphenol
CID 43698991

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-methoxyphenyl)methylamino]phenyl]propan-1-ol?
The IUPAC name of 1-[3-[(2-methoxyphenyl)methylamino]phenyl]propan-1-ol (CID 174622940) is 1-[3-[(2-methoxyphenyl)methylamino]phenyl]propan-1-ol.
What is the SMILES notation for 1-[3-[(2-methoxyphenyl)methylamino]phenyl]propan-1-ol?
The canonical SMILES for 1-[3-[(2-methoxyphenyl)methylamino]phenyl]propan-1-ol is CCC(O)c1cccc(NCc2ccccc2OC)c1.
What is the InChIKey of 1-[3-[(2-methoxyphenyl)methylamino]phenyl]propan-1-ol?
The InChIKey is ZVYOWYJLGMFNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-3-16(19)13-8-6-9-15(11-13)18-12-14-7-4-5-10-17(14)20-2/h4-11,16,18-19H,3,12H2,1-2H3.
What are the key properties of 1-[3-[(2-methoxyphenyl)methylamino]phenyl]propan-1-ol?
1-[3-[(2-methoxyphenyl)methylamino]phenyl]propan-1-ol has a molecular weight of 271.36 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-methoxyphenyl)methylamino]phenyl]propan-1-ol is sourced from PubChem (CID 174622940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).