(2R)-2-[1-(3-methoxyphenyl)propylamino]propan-1-ol

C13H21NO2 — CID 103778510

IUPAC(2R)-2-[1-(3-methoxyphenyl)propylamino]propan-1-ol
SMILESCCC(N[C@H](C)CO)c1cccc(OC)c1
InChIInChI=1S/C13H21NO2/c1-4-13(14-10(2)9-15)11-6-5-7-12(8-11)16-3/h5-8,10,13-15H,4,9H2,1-3H3/t10-,13?/m1/s1
InChIKeyAFFKXSOLEWMDRF-VUUHIHSGSA-N
MW223.32 g/mol
LogP2.12
Rot. Bonds6

About (2R)-2-[1-(3-methoxyphenyl)propylamino]propan-1-ol

(2R)-2-[1-(3-methoxyphenyl)propylamino]propan-1-ol (PubChem CID 103778510) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is (2R)-2-[1-(3-methoxyphenyl)propylamino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[1-(3-methoxyphenyl)propylamino]propan-1-ol
PubChem CID103778510
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name(2R)-2-[1-(3-methoxyphenyl)propylamino]propan-1-ol
SMILESCCC(N[C@H](C)CO)c1cccc(OC)c1
InChIInChI=1S/C13H21NO2/c1-4-13(14-10(2)9-15)11-6-5-7-12(8-11)16-3/h5-8,10,13-15H,4,9H2,1-3H3/t10-,13?/m1/s1
InChIKeyAFFKXSOLEWMDRF-VUUHIHSGSA-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

(2S)-2-[1-(4-methoxyphenyl)propylamino]propan-1-ol
CID 103789006
(1R)-1-(3-methoxyphenyl)-2-methylbutan-1-ol
CID 102519814
4-methoxy-N-[1-(3-methoxyphenyl)propyl]aniline
CID 46204143
1-(3-methoxyphenyl)-2-(propan-2-ylamino)butan-1-ol
CID 82314283
2-bromo-2-(3-methoxyphenyl)ethanol
CID 22371552
2-amino-3-(3-methoxyphenyl)butan-1-ol
CID 83907824
1-(3-methoxyphenyl)-N-propan-2-ylethane-1,2-diamine
CID 62066957
2-[1-(3,4-dichlorophenyl)propylamino]propan-1-ol
CID 43776340
2-(cyclopropylamino)-2-(3-methoxyphenyl)ethanol
CID 61054205
3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-1-ol
CID 104881509
2-(furan-2-yl)-2-[1-(3-methoxyphenyl)ethylamino]ethanol
CID 111755821
(3R)-3-[1-(3-methoxyphenyl)ethylamino]-3-phenylpropan-1-ol
CID 111755727

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(3-methoxyphenyl)propylamino]propan-1-ol?
The IUPAC name of (2R)-2-[1-(3-methoxyphenyl)propylamino]propan-1-ol (CID 103778510) is (2R)-2-[1-(3-methoxyphenyl)propylamino]propan-1-ol.
What is the SMILES notation for (2R)-2-[1-(3-methoxyphenyl)propylamino]propan-1-ol?
The canonical SMILES for (2R)-2-[1-(3-methoxyphenyl)propylamino]propan-1-ol is CCC(N[C@H](C)CO)c1cccc(OC)c1.
What is the InChIKey of (2R)-2-[1-(3-methoxyphenyl)propylamino]propan-1-ol?
The InChIKey is AFFKXSOLEWMDRF-VUUHIHSGSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-13(14-10(2)9-15)11-6-5-7-12(8-11)16-3/h5-8,10,13-15H,4,9H2,1-3H3/t10-,13?/m1/s1.
What are the key properties of (2R)-2-[1-(3-methoxyphenyl)propylamino]propan-1-ol?
(2R)-2-[1-(3-methoxyphenyl)propylamino]propan-1-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 (2R)-2-[1-(3-methoxyphenyl)propylamino]propan-1-ol is sourced from PubChem (CID 103778510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).