2-methoxy-6-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]phenol

C15H18N2O2 — CID 28655237

IUPAC2-methoxy-6-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]phenol
SMILESCOc1cccc(CN[C@@H](C)c2cccnc2)c1O
InChIInChI=1S/C15H18N2O2/c1-11(12-6-4-8-16-9-12)17-10-13-5-3-7-14(19-2)15(13)18/h3-9,11,17-18H,10H2,1-2H3/t11-/m0/s1
InChIKeyDZFAVKBBAHTMLM-NSHDSACASA-N
MW258.32 g/mol
LogP2.65
Rot. Bonds5

About 2-methoxy-6-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]phenol

2-methoxy-6-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]phenol (PubChem CID 28655237) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-methoxy-6-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]phenol
PubChem CID28655237
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-methoxy-6-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]phenol
SMILESCOc1cccc(CN[C@@H](C)c2cccnc2)c1O
InChIInChI=1S/C15H18N2O2/c1-11(12-6-4-8-16-9-12)17-10-13-5-3-7-14(19-2)15(13)18/h3-9,11,17-18H,10H2,1-2H3/t11-/m0/s1
InChIKeyDZFAVKBBAHTMLM-NSHDSACASA-N
XLogP2.65
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-methyl-6-[(1-pyridin-3-ylethylamino)methyl]phenol
CID 112553988
2-methoxy-6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol
CID 81367015
4-methoxy-2-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]phenol
CID 28656129
(1S)-N-[(5-bromo-2-methoxyphenyl)methyl]-1-pyridin-3-ylethanamine
CID 78950918
(1R)-N-[(2-ethylphenyl)methyl]-1-pyridin-3-ylethanamine
CID 81406474
(1S)-N-[(2,3-dichlorophenyl)methyl]-1-pyridin-3-ylethanamine
CID 28655829
2-[2-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]phenoxy]acetonitrile
CID 81407639
(1S)-N-[(2-prop-2-ynoxyphenyl)methyl]-1-pyridin-3-ylethanamine
CID 28655941
N-[(2-chloro-3-fluorophenyl)methyl]-1-pyridin-3-ylethanamine
CID 112651837
(1R)-N-[(3-bromo-4-methoxyphenyl)methyl]-1-pyridin-3-ylethanamine
CID 78978073
2-ethoxy-6-[(1-phenylethylamino)methyl]phenol
CID 43189900
2-bromo-6-[[1-(3-methoxyphenyl)ethylamino]methyl]phenol
CID 61391638

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]phenol?
The IUPAC name of 2-methoxy-6-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]phenol (CID 28655237) is 2-methoxy-6-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]phenol.
What is the SMILES notation for 2-methoxy-6-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]phenol?
The canonical SMILES for 2-methoxy-6-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]phenol is COc1cccc(CN[C@@H](C)c2cccnc2)c1O.
What is the InChIKey of 2-methoxy-6-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]phenol?
The InChIKey is DZFAVKBBAHTMLM-NSHDSACASA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11(12-6-4-8-16-9-12)17-10-13-5-3-7-14(19-2)15(13)18/h3-9,11,17-18H,10H2,1-2H3/t11-/m0/s1.
What are the key properties of 2-methoxy-6-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]phenol?
2-methoxy-6-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]phenol has a molecular weight of 258.32 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]phenol is sourced from PubChem (CID 28655237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).