3-[3-(benzylamino)propoxymethyl]phenol

C17H21NO2 — CID 114782855

IUPAC3-[3-(benzylamino)propoxymethyl]phenol
SMILESOc1cccc(COCCCNCc2ccccc2)c1
InChIInChI=1S/C17H21NO2/c19-17-9-4-8-16(12-17)14-20-11-5-10-18-13-15-6-2-1-3-7-15/h1-4,6-9,12,18-19H,5,10-11,13-14H2
InChIKeyAMKPFJDTFIKWBZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.09
Rot. Bonds8

About 3-[3-(benzylamino)propoxymethyl]phenol

3-[3-(benzylamino)propoxymethyl]phenol (PubChem CID 114782855) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-[3-(benzylamino)propoxymethyl]phenol.

Molecular Properties

Compound Name3-[3-(benzylamino)propoxymethyl]phenol
PubChem CID114782855
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name3-[3-(benzylamino)propoxymethyl]phenol
SMILESOc1cccc(COCCCNCc2ccccc2)c1
InChIInChI=1S/C17H21NO2/c19-17-9-4-8-16(12-17)14-20-11-5-10-18-13-15-6-2-1-3-7-15/h1-4,6-9,12,18-19H,5,10-11,13-14H2
InChIKeyAMKPFJDTFIKWBZ-UHFFFAOYSA-N
XLogP3.09
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-3-[(3-fluorophenyl)methoxy]propan-1-amine
CID 114782944
3-[[3-(2-chloroethoxy)propylamino]methyl]phenol
CID 106306226
N-benzyl-3-[(2,3-dichlorophenyl)methoxy]propan-1-amine
CID 107307020
4-[3-(benzylamino)propoxy]butanenitrile
CID 114782907
N-[[3-(3-phenylpropoxymethyl)phenyl]methyl]ethanamine
CID 62485606
3-[(3-cyclopropylpropylamino)methyl]phenol
CID 115639607
4-[[6-(2-phenylethoxy)hexylamino]methyl]phenol
CID 174549086
N-benzyl-3-(2,2-difluoroethoxy)propan-1-amine
CID 114782953
N-benzyl-3-phenoxypropan-1-amine
CID 13291924
N-benzyl-3-(1,2-oxazol-5-ylmethoxy)propan-1-amine
CID 114783023
N-benzyl-3-[(5-bromothiophen-2-yl)methoxy]propan-1-amine
CID 114782979
3-[(4-methylpentylamino)methyl]phenol
CID 60744251

Frequently Asked Questions

What is the IUPAC name of 3-[3-(benzylamino)propoxymethyl]phenol?
The IUPAC name of 3-[3-(benzylamino)propoxymethyl]phenol (CID 114782855) is 3-[3-(benzylamino)propoxymethyl]phenol.
What is the SMILES notation for 3-[3-(benzylamino)propoxymethyl]phenol?
The canonical SMILES for 3-[3-(benzylamino)propoxymethyl]phenol is Oc1cccc(COCCCNCc2ccccc2)c1.
What is the InChIKey of 3-[3-(benzylamino)propoxymethyl]phenol?
The InChIKey is AMKPFJDTFIKWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c19-17-9-4-8-16(12-17)14-20-11-5-10-18-13-15-6-2-1-3-7-15/h1-4,6-9,12,18-19H,5,10-11,13-14H2.
What are the key properties of 3-[3-(benzylamino)propoxymethyl]phenol?
3-[3-(benzylamino)propoxymethyl]phenol has a molecular weight of 271.36 g/mol, XLogP of 3.09, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(benzylamino)propoxymethyl]phenol is sourced from PubChem (CID 114782855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).