4-[[butan-2-yl-[(4-methoxyphenyl)methyl]amino]methyl]phenol

C19H25NO2 — CID 143325081

IUPAC4-[[butan-2-yl-[(4-methoxyphenyl)methyl]amino]methyl]phenol
SMILESCCC(C)N(Cc1ccc(O)cc1)Cc1ccc(OC)cc1
InChIInChI=1S/C19H25NO2/c1-4-15(2)20(13-16-5-9-18(21)10-6-16)14-17-7-11-19(22-3)12-8-17/h5-12,15,21H,4,13-14H2,1-3H3
InChIKeyOGLZUHTZOGNJHS-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.20
Rot. Bonds7

About 4-[[butan-2-yl-[(4-methoxyphenyl)methyl]amino]methyl]phenol

4-[[butan-2-yl-[(4-methoxyphenyl)methyl]amino]methyl]phenol (PubChem CID 143325081) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 4-[[butan-2-yl-[(4-methoxyphenyl)methyl]amino]methyl]phenol.

Molecular Properties

Compound Name4-[[butan-2-yl-[(4-methoxyphenyl)methyl]amino]methyl]phenol
PubChem CID143325081
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name4-[[butan-2-yl-[(4-methoxyphenyl)methyl]amino]methyl]phenol
SMILESCCC(C)N(Cc1ccc(O)cc1)Cc1ccc(OC)cc1
InChIInChI=1S/C19H25NO2/c1-4-15(2)20(13-16-5-9-18(21)10-6-16)14-17-7-11-19(22-3)12-8-17/h5-12,15,21H,4,13-14H2,1-3H3
InChIKeyOGLZUHTZOGNJHS-UHFFFAOYSA-N
XLogP4.20
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[[butan-2-yl-[(4-methoxyphenyl)methyl]amino]methyl]phenol with MolForge

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Related Compounds

(2R)-1-[[(2R)-butan-2-yl]-[(4-methoxyphenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 99729146
(2R)-1-[[(2R)-butan-2-yl]-[(4-methoxyphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 99732497
1-[butan-2-yl-[(4-methylphenyl)methyl]amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 24717348
(2S)-1-[[(2S)-butan-2-yl]-[(4-methylphenyl)methyl]amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 93163770
anisole;ethane;4-ethylphenol;2-methylpropane
CID 169174728
4-hydroxy-N-[(4-methoxyphenyl)methyl]-N-propan-2-ylbenzenesulfonamide
CID 125116690
4-[(3S,4R)-4-(4-methoxyphenyl)hexan-3-yl]phenol
CID 11954178
2-[(4-hydroxyphenyl)methyl-(4-methoxyphenoxy)carbonylamino]butanoic acid
CID 69435554
(2R)-N-[(4-methoxyphenyl)methyl]-N-propyloctan-2-amine
CID 142550099
methane;4-methoxyphenol
CID 159494332
1-[butan-2-yl-[(4-methoxyphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 46007607
3-[(4-methoxyphenyl)methyl-propan-2-ylamino]-2-methylpropanoic acid
CID 82328647

Frequently Asked Questions

What is the IUPAC name of 4-[[butan-2-yl-[(4-methoxyphenyl)methyl]amino]methyl]phenol?
The IUPAC name of 4-[[butan-2-yl-[(4-methoxyphenyl)methyl]amino]methyl]phenol (CID 143325081) is 4-[[butan-2-yl-[(4-methoxyphenyl)methyl]amino]methyl]phenol.
What is the SMILES notation for 4-[[butan-2-yl-[(4-methoxyphenyl)methyl]amino]methyl]phenol?
The canonical SMILES for 4-[[butan-2-yl-[(4-methoxyphenyl)methyl]amino]methyl]phenol is CCC(C)N(Cc1ccc(O)cc1)Cc1ccc(OC)cc1.
What is the InChIKey of 4-[[butan-2-yl-[(4-methoxyphenyl)methyl]amino]methyl]phenol?
The InChIKey is OGLZUHTZOGNJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-4-15(2)20(13-16-5-9-18(21)10-6-16)14-17-7-11-19(22-3)12-8-17/h5-12,15,21H,4,13-14H2,1-3H3.
What are the key properties of 4-[[butan-2-yl-[(4-methoxyphenyl)methyl]amino]methyl]phenol?
4-[[butan-2-yl-[(4-methoxyphenyl)methyl]amino]methyl]phenol has a molecular weight of 299.41 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[butan-2-yl-[(4-methoxyphenyl)methyl]amino]methyl]phenol is sourced from PubChem (CID 143325081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).