2-[3-[(dimethylamino)methyl]-4-methoxyphenyl]propan-1-ol

C13H21NO2 — CID 117320432

IUPAC2-[3-[(dimethylamino)methyl]-4-methoxyphenyl]propan-1-ol
SMILESCOc1ccc(C(C)CO)cc1CN(C)C
InChIInChI=1S/C13H21NO2/c1-10(9-15)11-5-6-13(16-4)12(7-11)8-14(2)3/h5-7,10,15H,8-9H2,1-4H3
InChIKeyUCBRFKMSFSJOTE-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.85
Rot. Bonds5

About 2-[3-[(dimethylamino)methyl]-4-methoxyphenyl]propan-1-ol

2-[3-[(dimethylamino)methyl]-4-methoxyphenyl]propan-1-ol (PubChem CID 117320432) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[3-[(dimethylamino)methyl]-4-methoxyphenyl]propan-1-ol.

Molecular Properties

Compound Name2-[3-[(dimethylamino)methyl]-4-methoxyphenyl]propan-1-ol
PubChem CID117320432
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-[3-[(dimethylamino)methyl]-4-methoxyphenyl]propan-1-ol
SMILESCOc1ccc(C(C)CO)cc1CN(C)C
InChIInChI=1S/C13H21NO2/c1-10(9-15)11-5-6-13(16-4)12(7-11)8-14(2)3/h5-7,10,15H,8-9H2,1-4H3
InChIKeyUCBRFKMSFSJOTE-UHFFFAOYSA-N
XLogP1.85
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-ol
CID 117345325
N-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-N,1-dimethylpiperidin-4-amine
CID 60860252
2-(2-methoxy-5-propan-2-ylphenyl)-N,N-dimethylethanamine
CID 117043743
2-[4-methoxy-3-(oxetan-3-yloxy)phenyl]propan-1-ol
CID 117349285
2-[3-methoxy-4-(thian-4-yloxy)phenyl]propan-1-ol
CID 117454015
1-(3-ethyl-4-methoxyphenyl)ethane-1,2-diol
CID 82281977
(2R)-2-amino-2-[3-(hydroxymethyl)-4-methoxyphenyl]ethanol
CID 66510832
1-(3-ethyl-4-methoxyphenyl)ethanol
CID 83529963
2-[(2-methoxy-5-propan-2-ylphenyl)methyl]butan-1-ol
CID 116930752
2-[(2,5-dimethoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115137582
3-[(dimethylamino)methyl]-4-methoxybenzoic acid;hydrochloride
CID 46736545
2-[4-methoxy-3-(thiolan-3-yloxy)phenyl]propan-1-ol
CID 117424833

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(dimethylamino)methyl]-4-methoxyphenyl]propan-1-ol?
The IUPAC name of 2-[3-[(dimethylamino)methyl]-4-methoxyphenyl]propan-1-ol (CID 117320432) is 2-[3-[(dimethylamino)methyl]-4-methoxyphenyl]propan-1-ol.
What is the SMILES notation for 2-[3-[(dimethylamino)methyl]-4-methoxyphenyl]propan-1-ol?
The canonical SMILES for 2-[3-[(dimethylamino)methyl]-4-methoxyphenyl]propan-1-ol is COc1ccc(C(C)CO)cc1CN(C)C.
What is the InChIKey of 2-[3-[(dimethylamino)methyl]-4-methoxyphenyl]propan-1-ol?
The InChIKey is UCBRFKMSFSJOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10(9-15)11-5-6-13(16-4)12(7-11)8-14(2)3/h5-7,10,15H,8-9H2,1-4H3.
What are the key properties of 2-[3-[(dimethylamino)methyl]-4-methoxyphenyl]propan-1-ol?
2-[3-[(dimethylamino)methyl]-4-methoxyphenyl]propan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(dimethylamino)methyl]-4-methoxyphenyl]propan-1-ol is sourced from PubChem (CID 117320432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).