[4-[[(2-methoxy-1-phenylethyl)amino]methyl]phenyl]methanol

C17H21NO2 — CID 103947386

IUPAC[4-[[(2-methoxy-1-phenylethyl)amino]methyl]phenyl]methanol
SMILESCOCC(NCc1ccc(CO)cc1)c1ccccc1
InChIInChI=1S/C17H21NO2/c1-20-13-17(16-5-3-2-4-6-16)18-11-14-7-9-15(12-19)10-8-14/h2-10,17-19H,11-13H2,1H3
InChIKeyXHJLGIMHALIEIP-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.66
Rot. Bonds7

About [4-[[(2-methoxy-1-phenylethyl)amino]methyl]phenyl]methanol

[4-[[(2-methoxy-1-phenylethyl)amino]methyl]phenyl]methanol (PubChem CID 103947386) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is [4-[[(2-methoxy-1-phenylethyl)amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[(2-methoxy-1-phenylethyl)amino]methyl]phenyl]methanol
PubChem CID103947386
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name[4-[[(2-methoxy-1-phenylethyl)amino]methyl]phenyl]methanol
SMILESCOCC(NCc1ccc(CO)cc1)c1ccccc1
InChIInChI=1S/C17H21NO2/c1-20-13-17(16-5-3-2-4-6-16)18-11-14-7-9-15(12-19)10-8-14/h2-10,17-19H,11-13H2,1H3
InChIKeyXHJLGIMHALIEIP-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(1-phenylpentylamino)methyl]phenyl]methanol
CID 107230172
2-[[4-(hydroxymethyl)phenyl]methylamino]-3-methoxypropanoic acid
CID 107232541
2-[(2-methoxy-1-phenylethyl)amino]-1-phenylethanol
CID 103913587
6-[(2-methoxy-1-phenylethyl)amino]hexan-1-ol
CID 103913633
2-[(4-butoxyphenyl)methylamino]-2-phenylethanol
CID 119134482
5-[(2-methoxy-1-phenylethyl)amino]-2-methylpentan-1-ol
CID 106157424
4-[[[1-(4-ethoxyphenyl)-2-methoxyethyl]amino]methyl]benzoic acid
CID 122034082
2-[(3-bromo-4-methoxyphenyl)methylamino]-2-phenylethanol
CID 63182463
2-methoxy-1-phenyl-N-(pyrimidin-4-ylmethyl)ethanamine
CID 114110617
(2-methoxy-1-phenylethyl)carbamic acid
CID 69063915
N-[(1S)-2-methoxy-1-phenylethyl]prop-1-en-2-amine
CID 89012748
(2R)-2-[[4-(difluoromethyl)phenyl]methylamino]-2-phenylethanol
CID 104709077

Frequently Asked Questions

What is the IUPAC name of [4-[[(2-methoxy-1-phenylethyl)amino]methyl]phenyl]methanol?
The IUPAC name of [4-[[(2-methoxy-1-phenylethyl)amino]methyl]phenyl]methanol (CID 103947386) is [4-[[(2-methoxy-1-phenylethyl)amino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[(2-methoxy-1-phenylethyl)amino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[(2-methoxy-1-phenylethyl)amino]methyl]phenyl]methanol is COCC(NCc1ccc(CO)cc1)c1ccccc1.
What is the InChIKey of [4-[[(2-methoxy-1-phenylethyl)amino]methyl]phenyl]methanol?
The InChIKey is XHJLGIMHALIEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-20-13-17(16-5-3-2-4-6-16)18-11-14-7-9-15(12-19)10-8-14/h2-10,17-19H,11-13H2,1H3.
What are the key properties of [4-[[(2-methoxy-1-phenylethyl)amino]methyl]phenyl]methanol?
[4-[[(2-methoxy-1-phenylethyl)amino]methyl]phenyl]methanol has a molecular weight of 271.36 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2-methoxy-1-phenylethyl)amino]methyl]phenyl]methanol is sourced from PubChem (CID 103947386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).