2-[(2-fluorophenyl)methyl-(3-methylbutyl)amino]-1-phenylethanol

C20H26FNO — CID 42836977

IUPAC2-[(2-fluorophenyl)methyl-(3-methylbutyl)amino]-1-phenylethanol
SMILESCC(C)CCN(Cc1ccccc1F)CC(O)c1ccccc1
InChIInChI=1S/C20H26FNO/c1-16(2)12-13-22(14-18-10-6-7-11-19(18)21)15-20(23)17-8-4-3-5-9-17/h3-11,16,20,23H,12-15H2,1-2H3
InChIKeyNRUGOYIODLHORC-UHFFFAOYSA-N
MW315.43 g/mol
LogP4.41
Rot. Bonds8

About 2-[(2-fluorophenyl)methyl-(3-methylbutyl)amino]-1-phenylethanol

2-[(2-fluorophenyl)methyl-(3-methylbutyl)amino]-1-phenylethanol (PubChem CID 42836977) has the molecular formula C20H26FNO and a molecular weight of 315.43 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl-(3-methylbutyl)amino]-1-phenylethanol.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl-(3-methylbutyl)amino]-1-phenylethanol
PubChem CID42836977
Molecular FormulaC20H26FNO
Molecular Weight315.43 g/mol
Exact Mass315.20
IUPAC Name2-[(2-fluorophenyl)methyl-(3-methylbutyl)amino]-1-phenylethanol
SMILESCC(C)CCN(Cc1ccccc1F)CC(O)c1ccccc1
InChIInChI=1S/C20H26FNO/c1-16(2)12-13-22(14-18-10-6-7-11-19(18)21)15-20(23)17-8-4-3-5-9-17/h3-11,16,20,23H,12-15H2,1-2H3
InChIKeyNRUGOYIODLHORC-UHFFFAOYSA-N
XLogP4.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.43
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-fluorophenyl)methyl-(3-methylbutyl)amino]-2-methylpropanoic acid
CID 82327791
(2S)-1-(4-chlorophenoxy)-3-[(2-fluorophenyl)methyl-(3-methylbutyl)amino]propan-2-ol
CID 93147028
3-[2-carboxyethyl-[(2-fluorophenyl)methyl]amino]-2-methylpropanoic acid
CID 82327787
N'-[(2-fluorophenyl)methyl]-N,N-dimethyl-N'-(5-methylhexyl)ethane-1,2-diamine
CID 58597811
2-[(2-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-1-phenylethanol
CID 42836975
2-[[bis(3-methylbutyl)amino]methyl]phenol
CID 107871853
3-[(2,3-difluorophenyl)methyl-(2-phenylpropyl)amino]propanoic acid
CID 167881605
3-[[bis(3-methylbutyl)amino]methyl]-2-fluoroaniline
CID 107869377
(2R)-1-[(2-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-phenoxypropan-2-ol
CID 93147109
(2R)-1-[(2-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 93161184
1-[(2-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 24712861
2,6-bis[[bis[(2R)-2-hydroxy-2-phenylethyl]amino]methyl]-4-methylphenol
CID 10100730

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl-(3-methylbutyl)amino]-1-phenylethanol?
The IUPAC name of 2-[(2-fluorophenyl)methyl-(3-methylbutyl)amino]-1-phenylethanol (CID 42836977) is 2-[(2-fluorophenyl)methyl-(3-methylbutyl)amino]-1-phenylethanol.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl-(3-methylbutyl)amino]-1-phenylethanol?
The canonical SMILES for 2-[(2-fluorophenyl)methyl-(3-methylbutyl)amino]-1-phenylethanol is CC(C)CCN(Cc1ccccc1F)CC(O)c1ccccc1.
What is the InChIKey of 2-[(2-fluorophenyl)methyl-(3-methylbutyl)amino]-1-phenylethanol?
The InChIKey is NRUGOYIODLHORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FNO/c1-16(2)12-13-22(14-18-10-6-7-11-19(18)21)15-20(23)17-8-4-3-5-9-17/h3-11,16,20,23H,12-15H2,1-2H3.
What are the key properties of 2-[(2-fluorophenyl)methyl-(3-methylbutyl)amino]-1-phenylethanol?
2-[(2-fluorophenyl)methyl-(3-methylbutyl)amino]-1-phenylethanol has a molecular weight of 315.43 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl-(3-methylbutyl)amino]-1-phenylethanol is sourced from PubChem (CID 42836977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).