[4-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]phenyl]methanol

C18H23NO2 — CID 107230230

IUPAC[4-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]phenyl]methanol
SMILESCOc1ccc(CC(C)NCc2ccc(CO)cc2)cc1
InChIInChI=1S/C18H23NO2/c1-14(11-15-7-9-18(21-2)10-8-15)19-12-16-3-5-17(13-20)6-4-16/h3-10,14,19-20H,11-13H2,1-2H3
InChIKeyQAKCEMOLKJYOBC-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.91
Rot. Bonds7

About [4-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]phenyl]methanol

[4-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]phenyl]methanol (PubChem CID 107230230) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is [4-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]phenyl]methanol
PubChem CID107230230
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name[4-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]phenyl]methanol
SMILESCOc1ccc(CC(C)NCc2ccc(CO)cc2)cc1
InChIInChI=1S/C18H23NO2/c1-14(11-15-7-9-18(21-2)10-8-15)19-12-16-3-5-17(13-20)6-4-16/h3-10,14,19-20H,11-13H2,1-2H3
InChIKeyQAKCEMOLKJYOBC-UHFFFAOYSA-N
XLogP2.91
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]phenyl]methanol
CID 103781729
N-(furan-3-ylmethyl)-1-(4-methoxyphenyl)propan-2-amine
CID 115711421
(4-methoxyphenyl)methanol
CID 7738
(2S)-N-[(4-methoxyphenyl)methyl]pent-4-en-2-amine
CID 130367202
(2R)-N-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)propan-2-amine
CID 7443154
2-methoxy-5-[2-[(4-methoxyphenyl)methylamino]propyl]aniline
CID 82257451
(2R)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962704
(2S)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962702
methyl (3S)-3-[(4-methoxyphenyl)methylamino]butanoate
CID 93105717
methyl (3R)-3-[(4-methoxyphenyl)methylamino]butanoate
CID 93105718
2-[2-[1-(4-methoxyphenyl)propan-2-ylamino]ethoxy]ethanol
CID 43508806
1-(4-methoxyphenyl)-N-(2-methoxypropyl)propan-2-amine
CID 102696593

Frequently Asked Questions

What is the IUPAC name of [4-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]phenyl]methanol?
The IUPAC name of [4-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]phenyl]methanol (CID 107230230) is [4-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]phenyl]methanol is COc1ccc(CC(C)NCc2ccc(CO)cc2)cc1.
What is the InChIKey of [4-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]phenyl]methanol?
The InChIKey is QAKCEMOLKJYOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-14(11-15-7-9-18(21-2)10-8-15)19-12-16-3-5-17(13-20)6-4-16/h3-10,14,19-20H,11-13H2,1-2H3.
What are the key properties of [4-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]phenyl]methanol?
[4-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]phenyl]methanol has a molecular weight of 285.39 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]phenyl]methanol is sourced from PubChem (CID 107230230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).