4-(2,5-dimethoxyphenyl)-2-[(2-methylpropylamino)methyl]phenol

C19H25NO3 — CID 45488727

IUPAC4-(2,5-dimethoxyphenyl)-2-[(2-methylpropylamino)methyl]phenol
SMILESCOc1ccc(OC)c(-c2ccc(O)c(CNCC(C)C)c2)c1
InChIInChI=1S/C19H25NO3/c1-13(2)11-20-12-15-9-14(5-7-18(15)21)17-10-16(22-3)6-8-19(17)23-4/h5-10,13,20-21H,11-12H2,1-4H3
InChIKeyUVIUYJNFEMWCTC-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.82
Rot. Bonds7

About 4-(2,5-dimethoxyphenyl)-2-[(2-methylpropylamino)methyl]phenol

4-(2,5-dimethoxyphenyl)-2-[(2-methylpropylamino)methyl]phenol (PubChem CID 45488727) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 4-(2,5-dimethoxyphenyl)-2-[(2-methylpropylamino)methyl]phenol.

Molecular Properties

Compound Name4-(2,5-dimethoxyphenyl)-2-[(2-methylpropylamino)methyl]phenol
PubChem CID45488727
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name4-(2,5-dimethoxyphenyl)-2-[(2-methylpropylamino)methyl]phenol
SMILESCOc1ccc(OC)c(-c2ccc(O)c(CNCC(C)C)c2)c1
InChIInChI=1S/C19H25NO3/c1-13(2)11-20-12-15-9-14(5-7-18(15)21)17-10-16(22-3)6-8-19(17)23-4/h5-10,13,20-21H,11-12H2,1-4H3
InChIKeyUVIUYJNFEMWCTC-UHFFFAOYSA-N
XLogP3.82
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.82
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

4-(2,5-dimethoxyphenyl)-2-[(2-phenylethylamino)methyl]phenol
CID 45488367
2-[(cyclooctylamino)methyl]-4-(2,5-dimethoxyphenyl)phenol
CID 45488585
4-(2,5-dimethoxyphenyl)-2-methylphenol
CID 53219026
4-(2,5-dimethoxyphenyl)-2-fluorophenol
CID 53219549
2-[(3-hydroxybutylamino)methyl]-4-methoxyphenol
CID 64929896
2-[4-(2,5-dimethoxyphenyl)phenyl]-1,4-dimethoxybenzene
CID 172792841
methyl 2-[4-methoxy-2-[(2-methylpropylamino)methyl]phenoxy]propanoate
CID 63062325
N-[(2-fluoro-5-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 167530984
2-[[(2,4-difluorophenyl)methylamino]methyl]-4-methoxyphenol
CID 62222408
(2S)-1-N-[(2,5-dimethoxyphenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 28730363
2-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]-4-methoxyphenol
CID 103922892
1-[(2,5-dimethoxyphenyl)methylamino]pentan-2-ol
CID 111118852

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxyphenyl)-2-[(2-methylpropylamino)methyl]phenol?
The IUPAC name of 4-(2,5-dimethoxyphenyl)-2-[(2-methylpropylamino)methyl]phenol (CID 45488727) is 4-(2,5-dimethoxyphenyl)-2-[(2-methylpropylamino)methyl]phenol.
What is the SMILES notation for 4-(2,5-dimethoxyphenyl)-2-[(2-methylpropylamino)methyl]phenol?
The canonical SMILES for 4-(2,5-dimethoxyphenyl)-2-[(2-methylpropylamino)methyl]phenol is COc1ccc(OC)c(-c2ccc(O)c(CNCC(C)C)c2)c1.
What is the InChIKey of 4-(2,5-dimethoxyphenyl)-2-[(2-methylpropylamino)methyl]phenol?
The InChIKey is UVIUYJNFEMWCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-13(2)11-20-12-15-9-14(5-7-18(15)21)17-10-16(22-3)6-8-19(17)23-4/h5-10,13,20-21H,11-12H2,1-4H3.
What are the key properties of 4-(2,5-dimethoxyphenyl)-2-[(2-methylpropylamino)methyl]phenol?
4-(2,5-dimethoxyphenyl)-2-[(2-methylpropylamino)methyl]phenol has a molecular weight of 315.41 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethoxyphenyl)-2-[(2-methylpropylamino)methyl]phenol is sourced from PubChem (CID 45488727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).