4-fluoro-2-[[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol

C16H25FN2O — CID 107699282

IUPAC4-fluoro-2-[[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
SMILESCC(C)CN(Cc1cc(F)ccc1O)CC1CCCN1
InChIInChI=1S/C16H25FN2O/c1-12(2)9-19(11-15-4-3-7-18-15)10-13-8-14(17)5-6-16(13)20/h5-6,8,12,15,18,20H,3-4,7,9-11H2,1-2H3
InChIKeyLCIJABLJTISTGH-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.74
Rot. Bonds6

About 4-fluoro-2-[[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol

4-fluoro-2-[[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol (PubChem CID 107699282) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 4-fluoro-2-[[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
PubChem CID107699282
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name4-fluoro-2-[[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
SMILESCC(C)CN(Cc1cc(F)ccc1O)CC1CCCN1
InChIInChI=1S/C16H25FN2O/c1-12(2)9-19(11-15-4-3-7-18-15)10-13-8-14(17)5-6-16(13)20/h5-6,8,12,15,18,20H,3-4,7,9-11H2,1-2H3
InChIKeyLCIJABLJTISTGH-UHFFFAOYSA-N
XLogP2.74
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-bromo-4-fluorophenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106617279
N-[(3-fluorophenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605110
N-[(4-chloro-2-fluorophenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605404
6-methyl-2-[[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]methyl]pyridin-3-ol
CID 106605471
4-fluoro-2-(pyrrolidin-2-ylmethyl)phenol
CID 82606248
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106614885
N-benzyl-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605191
N-[(2-bromo-4-chlorophenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605640
2-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 61378673
N-[(2,3-dichlorophenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605408
N-[(2,5-difluorophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623577
N-[(2-chloro-5-fluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106614617

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol?
The IUPAC name of 4-fluoro-2-[[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol (CID 107699282) is 4-fluoro-2-[[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol.
What is the SMILES notation for 4-fluoro-2-[[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol?
The canonical SMILES for 4-fluoro-2-[[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol is CC(C)CN(Cc1cc(F)ccc1O)CC1CCCN1.
What is the InChIKey of 4-fluoro-2-[[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol?
The InChIKey is LCIJABLJTISTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-12(2)9-19(11-15-4-3-7-18-15)10-13-8-14(17)5-6-16(13)20/h5-6,8,12,15,18,20H,3-4,7,9-11H2,1-2H3.
What are the key properties of 4-fluoro-2-[[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol?
4-fluoro-2-[[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol has a molecular weight of 280.39 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol is sourced from PubChem (CID 107699282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).