N-[(4-fluoro-3-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine

C14H20FNO — CID 55039910

IUPACN-[(4-fluoro-3-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine
SMILESCc1cc(CNC(C)C2CCCO2)ccc1F
InChIInChI=1S/C14H20FNO/c1-10-8-12(5-6-13(10)15)9-16-11(2)14-4-3-7-17-14/h5-6,8,11,14,16H,3-4,7,9H2,1-2H3
InChIKeyNPFPLWMDFYRFRZ-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.79
Rot. Bonds4

About N-[(4-fluoro-3-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine

N-[(4-fluoro-3-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine (PubChem CID 55039910) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine
PubChem CID55039910
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC NameN-[(4-fluoro-3-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine
SMILESCc1cc(CNC(C)C2CCCO2)ccc1F
InChIInChI=1S/C14H20FNO/c1-10-8-12(5-6-13(10)15)9-16-11(2)14-4-3-7-17-14/h5-6,8,11,14,16H,3-4,7,9H2,1-2H3
InChIKeyNPFPLWMDFYRFRZ-UHFFFAOYSA-N
XLogP2.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chloro-4-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 106816198
N-[(3,4-dichlorophenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208415
N-[(3-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208430
(1R)-1-cyclohexyl-N-[(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 81384987
N-[(4-tert-butylphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43111659
N-[(4-methoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208412
N-[(4-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208422
N-[(3-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 60873140
N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1-(oxolan-2-yl)ethanamine
CID 119106728
N-[(5-bromothiophen-3-yl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43432082
N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 75504160
1-(3,4-difluorophenyl)-2-[1-(oxolan-2-yl)ethylamino]ethanol
CID 54938804

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine (CID 55039910) is N-[(4-fluoro-3-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine is Cc1cc(CNC(C)C2CCCO2)ccc1F.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine?
The InChIKey is NPFPLWMDFYRFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-10-8-12(5-6-13(10)15)9-16-11(2)14-4-3-7-17-14/h5-6,8,11,14,16H,3-4,7,9H2,1-2H3.
What are the key properties of N-[(4-fluoro-3-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine?
N-[(4-fluoro-3-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine has a molecular weight of 237.32 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 55039910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).