1-[(4-methylphenyl)methylamino]-3-phenoxypropan-2-ol

C17H21NO2 — CID 54856606

IUPAC1-[(4-methylphenyl)methylamino]-3-phenoxypropan-2-ol
SMILESCc1ccc(CNCC(O)COc2ccccc2)cc1
InChIInChI=1S/C17H21NO2/c1-14-7-9-15(10-8-14)11-18-12-16(19)13-20-17-5-3-2-4-6-17/h2-10,16,18-19H,11-13H2,1H3
InChIKeySQUHYPWCEDVITA-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.52
Rot. Bonds7

About 1-[(4-methylphenyl)methylamino]-3-phenoxypropan-2-ol

1-[(4-methylphenyl)methylamino]-3-phenoxypropan-2-ol (PubChem CID 54856606) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methylamino]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-[(4-methylphenyl)methylamino]-3-phenoxypropan-2-ol
PubChem CID54856606
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name1-[(4-methylphenyl)methylamino]-3-phenoxypropan-2-ol
SMILESCc1ccc(CNCC(O)COc2ccccc2)cc1
InChIInChI=1S/C17H21NO2/c1-14-7-9-15(10-8-14)11-18-12-16(19)13-20-17-5-3-2-4-6-17/h2-10,16,18-19H,11-13H2,1H3
InChIKeySQUHYPWCEDVITA-UHFFFAOYSA-N
XLogP2.52
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-hydroxy-3-[(4-methylphenyl)methylamino]propoxy]phenoxy]-3-[(4-methylphenyl)methylamino]propan-2-ol
CID 19133404
1-(3-methylphenoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol
CID 60632284
1-(2-methylphenoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol
CID 60632285
(2S)-1-[2-(benzylamino)ethylamino]-3-phenoxypropan-2-ol
CID 129389592
1-[(4-methylphenyl)methylamino]-3-phenylmethoxypropan-2-ol
CID 60632327
(2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol
CID 7037801
1-(benzylamino)-3-(4-bromophenoxy)propan-2-ol
CID 10359618
1-(benzylamino)-3-(4-tert-butylphenoxy)propan-2-ol;hydrochloride
CID 10405576
1-(benzylamino)-3-phenoxypropan-2-ol;ethane;methyl 2-methoxyacetate
CID 91403066
1-[[4-(dimethylamino)phenyl]methylamino]-3-(3-methylphenoxy)propan-2-ol
CID 110906230
1-(benzylamino)-3-(4-nitrophenoxy)propan-2-ol
CID 42614705
1-(2-aminopropylamino)-3-phenoxypropan-2-ol
CID 54410968

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methylamino]-3-phenoxypropan-2-ol?
The IUPAC name of 1-[(4-methylphenyl)methylamino]-3-phenoxypropan-2-ol (CID 54856606) is 1-[(4-methylphenyl)methylamino]-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-[(4-methylphenyl)methylamino]-3-phenoxypropan-2-ol?
The canonical SMILES for 1-[(4-methylphenyl)methylamino]-3-phenoxypropan-2-ol is Cc1ccc(CNCC(O)COc2ccccc2)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methylamino]-3-phenoxypropan-2-ol?
The InChIKey is SQUHYPWCEDVITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-14-7-9-15(10-8-14)11-18-12-16(19)13-20-17-5-3-2-4-6-17/h2-10,16,18-19H,11-13H2,1H3.
What are the key properties of 1-[(4-methylphenyl)methylamino]-3-phenoxypropan-2-ol?
1-[(4-methylphenyl)methylamino]-3-phenoxypropan-2-ol has a molecular weight of 271.36 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methylamino]-3-phenoxypropan-2-ol is sourced from PubChem (CID 54856606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).