1-[1-(2-methoxyphenyl)propylamino]propan-2-ol

C13H21NO2 — CID 43776231

IUPAC1-[1-(2-methoxyphenyl)propylamino]propan-2-ol
SMILESCCC(NCC(C)O)c1ccccc1OC
InChIInChI=1S/C13H21NO2/c1-4-12(14-9-10(2)15)11-7-5-6-8-13(11)16-3/h5-8,10,12,14-15H,4,9H2,1-3H3
InChIKeyJDPPILGRMPEAGW-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.12
Rot. Bonds6

About 1-[1-(2-methoxyphenyl)propylamino]propan-2-ol

1-[1-(2-methoxyphenyl)propylamino]propan-2-ol (PubChem CID 43776231) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[1-(2-methoxyphenyl)propylamino]propan-2-ol.

Molecular Properties

Compound Name1-[1-(2-methoxyphenyl)propylamino]propan-2-ol
PubChem CID43776231
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-[1-(2-methoxyphenyl)propylamino]propan-2-ol
SMILESCCC(NCC(C)O)c1ccccc1OC
InChIInChI=1S/C13H21NO2/c1-4-12(14-9-10(2)15)11-7-5-6-8-13(11)16-3/h5-8,10,12,14-15H,4,9H2,1-3H3
InChIKeyJDPPILGRMPEAGW-UHFFFAOYSA-N
XLogP2.12
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
(1S)-1-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)propyl]propan-1-amine
CID 102356404
N-[1-(2-methoxyphenyl)propyl]-2-methylprop-2-en-1-amine
CID 115900226
2-[1-(2-methoxyphenyl)propylamino]-N-(2-methylpropyl)acetamide
CID 115900223
N-benzyl-1-(2-methoxyphenyl)propan-1-amine
CID 43435153
N-[1-(2,3-dimethoxyphenyl)propyl]-2-methylpropan-1-amine
CID 133148533
3-[[1-(2-methoxyphenyl)propylamino]methyl]pentan-3-ol
CID 65108193
tert-butyl N-[1-[1-(2-methoxyphenyl)propylamino]propan-2-yl]carbamate
CID 102794759
1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]butan-2-ol
CID 81387138
N-(cyclopropylmethyl)-1-(2-methoxyphenyl)propan-1-amine
CID 43693519
3-[1-(2-methoxyphenyl)propylamino]propanoic acid
CID 43774787
5-[1-(2-methoxyphenyl)propylamino]pentan-1-ol
CID 103913240

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyphenyl)propylamino]propan-2-ol?
The IUPAC name of 1-[1-(2-methoxyphenyl)propylamino]propan-2-ol (CID 43776231) is 1-[1-(2-methoxyphenyl)propylamino]propan-2-ol.
What is the SMILES notation for 1-[1-(2-methoxyphenyl)propylamino]propan-2-ol?
The canonical SMILES for 1-[1-(2-methoxyphenyl)propylamino]propan-2-ol is CCC(NCC(C)O)c1ccccc1OC.
What is the InChIKey of 1-[1-(2-methoxyphenyl)propylamino]propan-2-ol?
The InChIKey is JDPPILGRMPEAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-12(14-9-10(2)15)11-7-5-6-8-13(11)16-3/h5-8,10,12,14-15H,4,9H2,1-3H3.
What are the key properties of 1-[1-(2-methoxyphenyl)propylamino]propan-2-ol?
1-[1-(2-methoxyphenyl)propylamino]propan-2-ol has a molecular weight of 223.32 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyphenyl)propylamino]propan-2-ol is sourced from PubChem (CID 43776231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).