2,6-dimethoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenol

C17H21NO3 — CID 7154257

IUPAC2,6-dimethoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenol
SMILESCOc1cc(CN[C@H](C)c2ccccc2)cc(OC)c1O
InChIInChI=1S/C17H21NO3/c1-12(14-7-5-4-6-8-14)18-11-13-9-15(20-2)17(19)16(10-13)21-3/h4-10,12,18-19H,11H2,1-3H3/t12-/m1/s1
InChIKeyXVPRDKDPCAEZNC-GFCCVEGCSA-N
MW287.36 g/mol
LogP3.26
Rot. Bonds6

About 2,6-dimethoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenol

2,6-dimethoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenol (PubChem CID 7154257) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2,6-dimethoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenol.

Molecular Properties

Compound Name2,6-dimethoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenol
PubChem CID7154257
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name2,6-dimethoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenol
SMILESCOc1cc(CN[C@H](C)c2ccccc2)cc(OC)c1O
InChIInChI=1S/C17H21NO3/c1-12(14-7-5-4-6-8-14)18-11-13-9-15(20-2)17(19)16(10-13)21-3/h4-10,12,18-19H,11H2,1-3H3/t12-/m1/s1
InChIKeyXVPRDKDPCAEZNC-GFCCVEGCSA-N
XLogP3.26
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethoxy-4-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]phenol
CID 28644929
(1S)-N-[(3-iodo-4,5-dimethoxyphenyl)methyl]-1-phenylethanamine
CID 7390001
4-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]-2,6-dimethoxyphenol
CID 81402939
2,6-dimethoxy-4-[(1-thiophen-2-ylethylamino)methyl]phenol
CID 43182777
2-bromo-4-[[1-(4-fluorophenyl)ethylamino]methyl]-6-methoxyphenol
CID 43081085
(1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-phenylethanamine
CID 55257635
(1R)-N-[(3,4-dimethoxyphenyl)methyl]-1-phenylethanamine;2,2,2-trifluoroacetic acid
CID 175721011
4-[[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]methyl]-2-[5-[[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]methyl]-2-hydroxy-3-methoxyphenyl]-6-methoxyphenol
CID 58895709
(1S)-N-[(3-bromo-5-methoxy-4-propoxyphenyl)methyl]-1-phenylethanamine
CID 29227157
2-[2-methoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide
CID 7384832
1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17293395
2-[2-bromo-6-methoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide
CID 1017380

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenol?
The IUPAC name of 2,6-dimethoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenol (CID 7154257) is 2,6-dimethoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenol.
What is the SMILES notation for 2,6-dimethoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenol?
The canonical SMILES for 2,6-dimethoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenol is COc1cc(CN[C@H](C)c2ccccc2)cc(OC)c1O.
What is the InChIKey of 2,6-dimethoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenol?
The InChIKey is XVPRDKDPCAEZNC-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H21NO3/c1-12(14-7-5-4-6-8-14)18-11-13-9-15(20-2)17(19)16(10-13)21-3/h4-10,12,18-19H,11H2,1-3H3/t12-/m1/s1.
What are the key properties of 2,6-dimethoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenol?
2,6-dimethoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenol has a molecular weight of 287.36 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenol is sourced from PubChem (CID 7154257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).