1-[benzyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol

C18H23NO2 — CID 24714118

IUPAC1-[benzyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol
SMILESCOc1ccccc1CN(Cc1ccccc1)CC(C)O
InChIInChI=1S/C18H23NO2/c1-15(20)12-19(13-16-8-4-3-5-9-16)14-17-10-6-7-11-18(17)21-2/h3-11,15,20H,12-14H2,1-2H3
InChIKeyRSZIRTBKOWEHFV-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.08
Rot. Bonds7

About 1-[benzyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol

1-[benzyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol (PubChem CID 24714118) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[benzyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[benzyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol
PubChem CID24714118
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-[benzyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol
SMILESCOc1ccccc1CN(Cc1ccccc1)CC(C)O
InChIInChI=1S/C18H23NO2/c1-15(20)12-19(13-16-8-4-3-5-9-16)14-17-10-6-7-11-18(17)21-2/h3-11,15,20H,12-14H2,1-2H3
InChIKeyRSZIRTBKOWEHFV-UHFFFAOYSA-N
XLogP3.08
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[benzyl-[(2-methoxyphenyl)methyl]amino]hex-5-en-2-ol
CID 46007693
(2S)-1-[benzyl-[(2-methoxyphenyl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 93164224
2-[benzyl-[(2-methoxyphenyl)methyl]amino]acetic acid
CID 39385257
(2S)-1-[benzyl-[(2-methoxyphenyl)methyl]amino]-3-prop-2-ynoxypropan-2-ol
CID 93164231
1-[benzyl-[(2-methoxyphenyl)methyl]amino]-3-(4-chlorophenoxy)propan-2-ol
CID 46007695
(2S)-1-[benzyl-[(2,3-dimethoxyphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 93164577
1-[(2-methoxyphenyl)methyl-methylamino]ethanol
CID 67668408
(E)-N-benzyl-N-[(2-methoxyphenyl)methyl]-3-phenylprop-2-en-1-amine
CID 122225733
1-[benzyl-[(2,3-dimethoxyphenyl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 46007829
1-[benzyl-[(2,3-dimethoxyphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 46007827
2-[(2-methoxyphenyl)methyl-(2-phenylethyl)amino]ethanol
CID 110932203
(2R)-1-(2-methoxyphenyl)propan-2-ol
CID 6951555

Frequently Asked Questions

What is the IUPAC name of 1-[benzyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol?
The IUPAC name of 1-[benzyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol (CID 24714118) is 1-[benzyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol.
What is the SMILES notation for 1-[benzyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol?
The canonical SMILES for 1-[benzyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol is COc1ccccc1CN(Cc1ccccc1)CC(C)O.
What is the InChIKey of 1-[benzyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol?
The InChIKey is RSZIRTBKOWEHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-15(20)12-19(13-16-8-4-3-5-9-16)14-17-10-6-7-11-18(17)21-2/h3-11,15,20H,12-14H2,1-2H3.
What are the key properties of 1-[benzyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol?
1-[benzyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol has a molecular weight of 285.39 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol is sourced from PubChem (CID 24714118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).