2-methoxy-6-[[(4-propoxyphenyl)methylamino]methyl]phenol

C18H23NO3 — CID 45030034

IUPAC2-methoxy-6-[[(4-propoxyphenyl)methylamino]methyl]phenol
SMILESCCCOc1ccc(CNCc2cccc(OC)c2O)cc1
InChIInChI=1S/C18H23NO3/c1-3-11-22-16-9-7-14(8-10-16)12-19-13-15-5-4-6-17(21-2)18(15)20/h4-10,19-20H,3,11-13H2,1-2H3
InChIKeyROGHLPRAHXAQCH-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.48
Rot. Bonds8

About 2-methoxy-6-[[(4-propoxyphenyl)methylamino]methyl]phenol

2-methoxy-6-[[(4-propoxyphenyl)methylamino]methyl]phenol (PubChem CID 45030034) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-methoxy-6-[[(4-propoxyphenyl)methylamino]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[[(4-propoxyphenyl)methylamino]methyl]phenol
PubChem CID45030034
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name2-methoxy-6-[[(4-propoxyphenyl)methylamino]methyl]phenol
SMILESCCCOc1ccc(CNCc2cccc(OC)c2O)cc1
InChIInChI=1S/C18H23NO3/c1-3-11-22-16-9-7-14(8-10-16)12-19-13-15-5-4-6-17(21-2)18(15)20/h4-10,19-20H,3,11-13H2,1-2H3
InChIKeyROGHLPRAHXAQCH-UHFFFAOYSA-N
XLogP3.48
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.48
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-methoxy-6-[[(4-methoxyphenyl)methylamino]methyl]phenol;oxalic acid
CID 163327227
1-(4-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 738542
3-[[(4-methoxyphenyl)methylamino]methyl]benzene-1,2-diol
CID 61318048
4-[[(3-ethoxy-2-hydroxyphenyl)methylamino]methyl]benzonitrile
CID 60918198
2-methoxy-6-[(1,3-thiazol-4-ylmethylamino)methyl]phenol
CID 62732785
N-[(3-ethoxy-2-methylphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 163367032
2-methoxy-6-[[(1-methyl-1,2,4-triazol-3-yl)methylamino]methyl]phenol
CID 103884327
2-ethoxy-6-[(pyridin-4-ylmethylamino)methyl]phenol
CID 28669757
N-[(2-hexoxy-3-methoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine
CID 54848693
3-[[(2-hydroxy-3-methoxyphenyl)methylamino]methyl]benzamide
CID 43664707
N-[(3-methoxy-2-pentoxyphenyl)methyl]-1-phenylmethanamine
CID 54804200
2-ethoxy-6-[[(2-methoxy-4-pyridinyl)methylamino]methyl]phenol
CID 62733708

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[[(4-propoxyphenyl)methylamino]methyl]phenol?
The IUPAC name of 2-methoxy-6-[[(4-propoxyphenyl)methylamino]methyl]phenol (CID 45030034) is 2-methoxy-6-[[(4-propoxyphenyl)methylamino]methyl]phenol.
What is the SMILES notation for 2-methoxy-6-[[(4-propoxyphenyl)methylamino]methyl]phenol?
The canonical SMILES for 2-methoxy-6-[[(4-propoxyphenyl)methylamino]methyl]phenol is CCCOc1ccc(CNCc2cccc(OC)c2O)cc1.
What is the InChIKey of 2-methoxy-6-[[(4-propoxyphenyl)methylamino]methyl]phenol?
The InChIKey is ROGHLPRAHXAQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-3-11-22-16-9-7-14(8-10-16)12-19-13-15-5-4-6-17(21-2)18(15)20/h4-10,19-20H,3,11-13H2,1-2H3.
What are the key properties of 2-methoxy-6-[[(4-propoxyphenyl)methylamino]methyl]phenol?
2-methoxy-6-[[(4-propoxyphenyl)methylamino]methyl]phenol has a molecular weight of 301.39 g/mol, XLogP of 3.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[[(4-propoxyphenyl)methylamino]methyl]phenol is sourced from PubChem (CID 45030034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).