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

C14H23NO2 — CID 112678949

IUPAC1-[2-[3-methoxypropyl(methyl)amino]phenyl]propan-1-ol
SMILESCCC(O)c1ccccc1N(C)CCCOC
InChIInChI=1S/C14H23NO2/c1-4-14(16)12-8-5-6-9-13(12)15(2)10-7-11-17-3/h5-6,8-9,14,16H,4,7,10-11H2,1-3H3
InChIKeyJEFXIQIWKUQNJH-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.60
Rot. Bonds7

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

1-[2-[3-methoxypropyl(methyl)amino]phenyl]propan-1-ol (PubChem CID 112678949) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-[2-[3-methoxypropyl(methyl)amino]phenyl]propan-1-ol.

Molecular Properties

Compound Name1-[2-[3-methoxypropyl(methyl)amino]phenyl]propan-1-ol
PubChem CID112678949
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-[2-[3-methoxypropyl(methyl)amino]phenyl]propan-1-ol
SMILESCCC(O)c1ccccc1N(C)CCCOC
InChIInChI=1S/C14H23NO2/c1-4-14(16)12-8-5-6-9-13(12)15(2)10-7-11-17-3/h5-6,8-9,14,16H,4,7,10-11H2,1-3H3
InChIKeyJEFXIQIWKUQNJH-UHFFFAOYSA-N
XLogP2.60
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.60
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

(1R)-1-[2-[2-methoxyethyl(methyl)amino]phenyl]propan-1-ol
CID 103959855
2-[(1R)-1-aminoethyl]-N-(3-methoxypropyl)-N-methylaniline
CID 78935486
N-(3-methoxypropyl)-N-methyl-2-[1-(propylamino)propyl]aniline
CID 115995187
2-[3-methoxypropyl(methyl)amino]phenol
CID 134473103
(1S)-1-[2-[butan-2-yl(2-methoxyethyl)amino]phenyl]propan-1-ol
CID 103959967
(1S)-1-[2-[2-methoxyethyl(propan-2-yl)amino]phenyl]propan-1-ol
CID 103960325
(1R)-1-[2-[methyl(3,3,3-trifluoropropyl)amino]phenyl]propan-1-ol
CID 113359035
(1R)-1-[2-[methyl(2-methylsulfanylethyl)amino]phenyl]propan-1-ol
CID 103960340
(1S)-1-[2-[ethyl(1-methoxypropan-2-yl)amino]phenyl]propan-1-ol
CID 103959999
(1S)-1-[2-[(3-methoxyphenyl)methyl-methylamino]phenyl]propan-1-ol
CID 103959837
(1S)-1-[2-(N-methylanilino)phenyl]propan-1-ol
CID 103959642
1-[2-(2-methoxy-N-methylanilino)phenyl]propan-1-ol
CID 115995973

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-methoxypropyl(methyl)amino]phenyl]propan-1-ol?
The IUPAC name of 1-[2-[3-methoxypropyl(methyl)amino]phenyl]propan-1-ol (CID 112678949) is 1-[2-[3-methoxypropyl(methyl)amino]phenyl]propan-1-ol.
What is the SMILES notation for 1-[2-[3-methoxypropyl(methyl)amino]phenyl]propan-1-ol?
The canonical SMILES for 1-[2-[3-methoxypropyl(methyl)amino]phenyl]propan-1-ol is CCC(O)c1ccccc1N(C)CCCOC.
What is the InChIKey of 1-[2-[3-methoxypropyl(methyl)amino]phenyl]propan-1-ol?
The InChIKey is JEFXIQIWKUQNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-14(16)12-8-5-6-9-13(12)15(2)10-7-11-17-3/h5-6,8-9,14,16H,4,7,10-11H2,1-3H3.
What are the key properties of 1-[2-[3-methoxypropyl(methyl)amino]phenyl]propan-1-ol?
1-[2-[3-methoxypropyl(methyl)amino]phenyl]propan-1-ol has a molecular weight of 237.34 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-methoxypropyl(methyl)amino]phenyl]propan-1-ol is sourced from PubChem (CID 112678949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).