3-[3-methoxypropyl(methyl)amino]-1-(2-methylphenyl)propan-1-ol

C15H25NO2 — CID 63010100

IUPAC3-[3-methoxypropyl(methyl)amino]-1-(2-methylphenyl)propan-1-ol
SMILESCOCCCN(C)CCC(O)c1ccccc1C
InChIInChI=1S/C15H25NO2/c1-13-7-4-5-8-14(13)15(17)9-11-16(2)10-6-12-18-3/h4-5,7-8,15,17H,6,9-12H2,1-3H3
InChIKeyGDMUREUBWOJSCE-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.39
Rot. Bonds8

About 3-[3-methoxypropyl(methyl)amino]-1-(2-methylphenyl)propan-1-ol

3-[3-methoxypropyl(methyl)amino]-1-(2-methylphenyl)propan-1-ol (PubChem CID 63010100) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-[3-methoxypropyl(methyl)amino]-1-(2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-[3-methoxypropyl(methyl)amino]-1-(2-methylphenyl)propan-1-ol
PubChem CID63010100
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name3-[3-methoxypropyl(methyl)amino]-1-(2-methylphenyl)propan-1-ol
SMILESCOCCCN(C)CCC(O)c1ccccc1C
InChIInChI=1S/C15H25NO2/c1-13-7-4-5-8-14(13)15(17)9-11-16(2)10-6-12-18-3/h4-5,7-8,15,17H,6,9-12H2,1-3H3
InChIKeyGDMUREUBWOJSCE-UHFFFAOYSA-N
XLogP2.39
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N'-(3-methoxypropyl)-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine
CID 63009908
3-[1-methoxypropan-2-yl(methyl)amino]-1-(2-methylphenyl)propan-1-ol
CID 62622938
N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-1-(2-methylphenyl)propane-1,3-diamine
CID 62628932
3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-(2-methylphenyl)propan-1-ol
CID 62625066
3-[bis(2-hydroxyethyl)amino]-1-(2-methylphenyl)propan-1-ol
CID 62625075
1-(1-bromo-5-methoxypentan-2-yl)-2-methylbenzene
CID 79418534
1-[2-[3-methoxypropyl(methyl)amino]phenyl]propan-1-ol
CID 112678949
3-[2-ethoxyethyl(ethyl)amino]-1-(2-methylphenyl)propan-1-ol
CID 63692501
1-(1-bromo-6-methoxyhexan-2-yl)-2-methylbenzene
CID 104650718
1-(2-bromophenyl)-N-ethyl-N'-(3-methoxypropyl)-N'-methylpropane-1,3-diamine
CID 63009011
3-[butyl(methyl)amino]-1-(2,4-dimethylphenyl)propan-1-ol
CID 82074631
N'-(3-methoxypropyl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine
CID 55140895

Frequently Asked Questions

What is the IUPAC name of 3-[3-methoxypropyl(methyl)amino]-1-(2-methylphenyl)propan-1-ol?
The IUPAC name of 3-[3-methoxypropyl(methyl)amino]-1-(2-methylphenyl)propan-1-ol (CID 63010100) is 3-[3-methoxypropyl(methyl)amino]-1-(2-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-[3-methoxypropyl(methyl)amino]-1-(2-methylphenyl)propan-1-ol?
The canonical SMILES for 3-[3-methoxypropyl(methyl)amino]-1-(2-methylphenyl)propan-1-ol is COCCCN(C)CCC(O)c1ccccc1C.
What is the InChIKey of 3-[3-methoxypropyl(methyl)amino]-1-(2-methylphenyl)propan-1-ol?
The InChIKey is GDMUREUBWOJSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-13-7-4-5-8-14(13)15(17)9-11-16(2)10-6-12-18-3/h4-5,7-8,15,17H,6,9-12H2,1-3H3.
What are the key properties of 3-[3-methoxypropyl(methyl)amino]-1-(2-methylphenyl)propan-1-ol?
3-[3-methoxypropyl(methyl)amino]-1-(2-methylphenyl)propan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methoxypropyl(methyl)amino]-1-(2-methylphenyl)propan-1-ol is sourced from PubChem (CID 63010100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).