4-[(1-methoxypropan-2-ylamino)-phenylmethyl]phenol

C17H21NO2 — CID 43191842

IUPAC4-[(1-methoxypropan-2-ylamino)-phenylmethyl]phenol
SMILESCOCC(C)NC(c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C17H21NO2/c1-13(12-20-2)18-17(14-6-4-3-5-7-14)15-8-10-16(19)11-9-15/h3-11,13,17-19H,12H2,1-2H3
InChIKeyOPANQTHPDPAEDT-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.11
Rot. Bonds6

About 4-[(1-methoxypropan-2-ylamino)-phenylmethyl]phenol

4-[(1-methoxypropan-2-ylamino)-phenylmethyl]phenol (PubChem CID 43191842) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-[(1-methoxypropan-2-ylamino)-phenylmethyl]phenol.

Molecular Properties

Compound Name4-[(1-methoxypropan-2-ylamino)-phenylmethyl]phenol
PubChem CID43191842
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name4-[(1-methoxypropan-2-ylamino)-phenylmethyl]phenol
SMILESCOCC(C)NC(c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C17H21NO2/c1-13(12-20-2)18-17(14-6-4-3-5-7-14)15-8-10-16(19)11-9-15/h3-11,13,17-19H,12H2,1-2H3
InChIKeyOPANQTHPDPAEDT-UHFFFAOYSA-N
XLogP3.11
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-[[(4-hydroxyphenyl)-phenylmethyl]amino]propanoate
CID 43723711
2-(1-methoxypropan-2-ylamino)-2-phenylethanol
CID 63182604
4-[2-(1-methoxypropan-2-ylamino)propyl]phenol
CID 81344807
2-(benzhydrylamino)propan-1-ol
CID 43499566
(2R)-2-[[(4-methoxyphenyl)-phenylmethyl]amino]propan-1-ol
CID 114982550
(2S)-2-[[(2S)-1-methoxypropan-2-yl]amino]-2-phenylacetamide
CID 33406332
2-[[(4-fluorophenyl)-phenylmethyl]amino]-3-methoxypropan-1-ol
CID 106187396
(3R)-3-(benzhydrylamino)butanoic acid
CID 69229544
4-[(1R,2S)-2-[[(2R)-1-((1,2,3,4,5,6-13C6)cyclohexatrienyloxy)propan-2-yl]amino]-1-hydroxypropyl]phenol
CID 164517017
4-[(pent-1-yn-3-ylamino)-phenylmethyl]phenol
CID 106224824
4-[(1R)-1-hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]phenol chloride
CID 45114085
4-[(2-methylbutylamino)-phenylmethyl]phenol
CID 62693261

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methoxypropan-2-ylamino)-phenylmethyl]phenol?
The IUPAC name of 4-[(1-methoxypropan-2-ylamino)-phenylmethyl]phenol (CID 43191842) is 4-[(1-methoxypropan-2-ylamino)-phenylmethyl]phenol.
What is the SMILES notation for 4-[(1-methoxypropan-2-ylamino)-phenylmethyl]phenol?
The canonical SMILES for 4-[(1-methoxypropan-2-ylamino)-phenylmethyl]phenol is COCC(C)NC(c1ccccc1)c1ccc(O)cc1.
What is the InChIKey of 4-[(1-methoxypropan-2-ylamino)-phenylmethyl]phenol?
The InChIKey is OPANQTHPDPAEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-13(12-20-2)18-17(14-6-4-3-5-7-14)15-8-10-16(19)11-9-15/h3-11,13,17-19H,12H2,1-2H3.
What are the key properties of 4-[(1-methoxypropan-2-ylamino)-phenylmethyl]phenol?
4-[(1-methoxypropan-2-ylamino)-phenylmethyl]phenol has a molecular weight of 271.36 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methoxypropan-2-ylamino)-phenylmethyl]phenol is sourced from PubChem (CID 43191842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).