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

C14H20FNO — CID 62134783

IUPACN-[(4-fluoro-2-methylphenyl)methyl]-2-(oxolan-2-yl)ethanamine
SMILESCc1cc(F)ccc1CNCCC1CCCO1
InChIInChI=1S/C14H20FNO/c1-11-9-13(15)5-4-12(11)10-16-7-6-14-3-2-8-17-14/h4-5,9,14,16H,2-3,6-8,10H2,1H3
InChIKeyNSBNSHDORZEQIE-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.79
Rot. Bonds5

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

N-[(4-fluoro-2-methylphenyl)methyl]-2-(oxolan-2-yl)ethanamine (PubChem CID 62134783) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is N-[(4-fluoro-2-methylphenyl)methyl]-2-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-fluoro-2-methylphenyl)methyl]-2-(oxolan-2-yl)ethanamine
PubChem CID62134783
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC NameN-[(4-fluoro-2-methylphenyl)methyl]-2-(oxolan-2-yl)ethanamine
SMILESCc1cc(F)ccc1CNCCC1CCCO1
InChIInChI=1S/C14H20FNO/c1-11-9-13(15)5-4-12(11)10-16-7-6-14-3-2-8-17-14/h4-5,9,14,16H,2-3,6-8,10H2,1H3
InChIKeyNSBNSHDORZEQIE-UHFFFAOYSA-N
XLogP2.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(5-fluoro-2-methylphenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 115967929
N-[(5-fluoro-2-methylphenyl)methyl]-2-(oxan-2-yl)ethanamine
CID 103992756
N-[(2,5-difluorophenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 54893285
N-[(2-bromo-4-fluorophenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 60766476
N-[(2-chloro-4-fluorophenyl)methyl]-2-(oxan-2-yl)ethanamine
CID 113362834
4-fluoro-2-[[2-(oxolan-2-yl)ethylamino]methyl]phenol
CID 103948092
4-methyl-2-[[2-(oxolan-2-yl)ethylamino]methyl]phenol
CID 55205702
N-ethyl-1-(4-fluoro-2-methylphenyl)-4-(oxolan-2-yl)butan-2-amine
CID 105050994
N-[(4-bromo-2-chlorophenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 115652022
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-[(2S)-oxolan-2-yl]ethanamine
CID 95592451
1-(4-fluoro-2-methylphenyl)-3-(oxolan-2-yl)propan-2-amine
CID 114347642
3-fluoro-N'-hydroxy-4-[[2-(oxolan-2-yl)ethylamino]methyl]benzenecarboximidamide
CID 77031208

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-2-methylphenyl)methyl]-2-(oxolan-2-yl)ethanamine?
The IUPAC name of N-[(4-fluoro-2-methylphenyl)methyl]-2-(oxolan-2-yl)ethanamine (CID 62134783) is N-[(4-fluoro-2-methylphenyl)methyl]-2-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-[(4-fluoro-2-methylphenyl)methyl]-2-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-[(4-fluoro-2-methylphenyl)methyl]-2-(oxolan-2-yl)ethanamine is Cc1cc(F)ccc1CNCCC1CCCO1.
What is the InChIKey of N-[(4-fluoro-2-methylphenyl)methyl]-2-(oxolan-2-yl)ethanamine?
The InChIKey is NSBNSHDORZEQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-11-9-13(15)5-4-12(11)10-16-7-6-14-3-2-8-17-14/h4-5,9,14,16H,2-3,6-8,10H2,1H3.
What are the key properties of N-[(4-fluoro-2-methylphenyl)methyl]-2-(oxolan-2-yl)ethanamine?
N-[(4-fluoro-2-methylphenyl)methyl]-2-(oxolan-2-yl)ethanamine has a molecular weight of 237.32 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-2-methylphenyl)methyl]-2-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 62134783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).