2-[3-(dimethylamino)propylamino]-1-(2-methoxy-5-methylphenyl)propan-1-ol

C16H28N2O2 — CID 82313691

IUPAC2-[3-(dimethylamino)propylamino]-1-(2-methoxy-5-methylphenyl)propan-1-ol
SMILESCOc1ccc(C)cc1C(O)C(C)NCCCN(C)C
InChIInChI=1S/C16H28N2O2/c1-12-7-8-15(20-5)14(11-12)16(19)13(2)17-9-6-10-18(3)4/h7-8,11,13,16-17,19H,6,9-10H2,1-5H3
InChIKeyQIHKNUKVCDKVRC-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.97
Rot. Bonds8

About 2-[3-(dimethylamino)propylamino]-1-(2-methoxy-5-methylphenyl)propan-1-ol

2-[3-(dimethylamino)propylamino]-1-(2-methoxy-5-methylphenyl)propan-1-ol (PubChem CID 82313691) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propylamino]-1-(2-methoxy-5-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-[3-(dimethylamino)propylamino]-1-(2-methoxy-5-methylphenyl)propan-1-ol
PubChem CID82313691
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name2-[3-(dimethylamino)propylamino]-1-(2-methoxy-5-methylphenyl)propan-1-ol
SMILESCOc1ccc(C)cc1C(O)C(C)NCCCN(C)C
InChIInChI=1S/C16H28N2O2/c1-12-7-8-15(20-5)14(11-12)16(19)13(2)17-9-6-10-18(3)4/h7-8,11,13,16-17,19H,6,9-10H2,1-5H3
InChIKeyQIHKNUKVCDKVRC-UHFFFAOYSA-N
XLogP1.97
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]propan-1-ol
CID 82314748
2-(3-hydroxypropylamino)-1-(2-methoxy-5-propan-2-ylphenyl)propan-1-ol
CID 82315545
2-[3-(dimethylamino)propylamino]-1-(3,4-dimethylphenyl)propan-1-ol
CID 82312515
2-[2-(dimethylamino)ethylamino]-1-(2,4-dimethylphenyl)propan-1-ol
CID 82313474
1-(2,5-dimethoxyphenyl)-2-(3-methoxypropylamino)propan-1-ol
CID 82314733
1-(2-ethoxy-5-methylphenyl)-2-(3-methylbutylamino)propan-1-ol
CID 82315196
1-(2,4-dimethylphenyl)-2-(3-hydroxypropylamino)propan-1-ol
CID 82313434
2-(cyclopentylamino)-1-(2-methoxy-5-methylphenyl)propan-1-ol
CID 82313684
1-(2-methoxy-5-methylphenyl)-3-sulfanylpropane-1,2-diol
CID 170819807
2-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]butanamide
CID 78813044
N'-[2-(dimethylamino)ethyl]-N-ethyl-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine
CID 63694845
2-(butan-2-ylamino)-1-(2-methoxy-5-methylphenyl)-3-methylbutan-1-ol
CID 82313727

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propylamino]-1-(2-methoxy-5-methylphenyl)propan-1-ol?
The IUPAC name of 2-[3-(dimethylamino)propylamino]-1-(2-methoxy-5-methylphenyl)propan-1-ol (CID 82313691) is 2-[3-(dimethylamino)propylamino]-1-(2-methoxy-5-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-[3-(dimethylamino)propylamino]-1-(2-methoxy-5-methylphenyl)propan-1-ol?
The canonical SMILES for 2-[3-(dimethylamino)propylamino]-1-(2-methoxy-5-methylphenyl)propan-1-ol is COc1ccc(C)cc1C(O)C(C)NCCCN(C)C.
What is the InChIKey of 2-[3-(dimethylamino)propylamino]-1-(2-methoxy-5-methylphenyl)propan-1-ol?
The InChIKey is QIHKNUKVCDKVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-12-7-8-15(20-5)14(11-12)16(19)13(2)17-9-6-10-18(3)4/h7-8,11,13,16-17,19H,6,9-10H2,1-5H3.
What are the key properties of 2-[3-(dimethylamino)propylamino]-1-(2-methoxy-5-methylphenyl)propan-1-ol?
2-[3-(dimethylamino)propylamino]-1-(2-methoxy-5-methylphenyl)propan-1-ol has a molecular weight of 280.41 g/mol, XLogP of 1.97, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propylamino]-1-(2-methoxy-5-methylphenyl)propan-1-ol is sourced from PubChem (CID 82313691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).