N-[(2,4-difluorophenyl)-(2-methyloxolan-3-yl)methyl]ethanamine

C14H19F2NO — CID 79758597

IUPACN-[(2,4-difluorophenyl)-(2-methyloxolan-3-yl)methyl]ethanamine
SMILESCCNC(c1ccc(F)cc1F)C1CCOC1C
InChIInChI=1S/C14H19F2NO/c1-3-17-14(11-6-7-18-9(11)2)12-5-4-10(15)8-13(12)16/h4-5,8-9,11,14,17H,3,6-7H2,1-2H3
InChIKeyCGJFNIWZZCNSDZ-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.04
Rot. Bonds4

About N-[(2,4-difluorophenyl)-(2-methyloxolan-3-yl)methyl]ethanamine

N-[(2,4-difluorophenyl)-(2-methyloxolan-3-yl)methyl]ethanamine (PubChem CID 79758597) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)-(2-methyloxolan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)-(2-methyloxolan-3-yl)methyl]ethanamine
PubChem CID79758597
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC NameN-[(2,4-difluorophenyl)-(2-methyloxolan-3-yl)methyl]ethanamine
SMILESCCNC(c1ccc(F)cc1F)C1CCOC1C
InChIInChI=1S/C14H19F2NO/c1-3-17-14(11-6-7-18-9(11)2)12-5-4-10(15)8-13(12)16/h4-5,8-9,11,14,17H,3,6-7H2,1-2H3
InChIKeyCGJFNIWZZCNSDZ-UHFFFAOYSA-N
XLogP3.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-fluoro-5-methylphenyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
CID 115852879
N-[(3,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine
CID 105013645
N-[(2-methyloxolan-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine
CID 102709792
N-[(2,4-difluorophenyl)-(3-methyl-1,4-dithian-2-yl)methyl]ethanamine
CID 115387104
N-[(2,4-difluorophenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107177529
N-[(4-methoxy-2,5-dimethylphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine
CID 105032916
N-methyl-1-(2-methyloxolan-3-yl)-1-(2,4,6-trifluorophenyl)methanamine
CID 79758753
N-[(3-ethylphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine
CID 105018793
N-[(2-methyloxolan-3-yl)-naphthalen-2-ylmethyl]ethanamine
CID 115851069
N-[(3-ethoxyphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine
CID 105022346
N-[(2,5-difluorophenyl)-(oxolan-2-yl)methyl]ethanamine
CID 43490214
N-[(4-bromo-3-chloro-2-fluorophenyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
CID 106764501

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)-(2-methyloxolan-3-yl)methyl]ethanamine?
The IUPAC name of N-[(2,4-difluorophenyl)-(2-methyloxolan-3-yl)methyl]ethanamine (CID 79758597) is N-[(2,4-difluorophenyl)-(2-methyloxolan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,4-difluorophenyl)-(2-methyloxolan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,4-difluorophenyl)-(2-methyloxolan-3-yl)methyl]ethanamine is CCNC(c1ccc(F)cc1F)C1CCOC1C.
What is the InChIKey of N-[(2,4-difluorophenyl)-(2-methyloxolan-3-yl)methyl]ethanamine?
The InChIKey is CGJFNIWZZCNSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-3-17-14(11-6-7-18-9(11)2)12-5-4-10(15)8-13(12)16/h4-5,8-9,11,14,17H,3,6-7H2,1-2H3.
What are the key properties of N-[(2,4-difluorophenyl)-(2-methyloxolan-3-yl)methyl]ethanamine?
N-[(2,4-difluorophenyl)-(2-methyloxolan-3-yl)methyl]ethanamine has a molecular weight of 255.31 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)-(2-methyloxolan-3-yl)methyl]ethanamine is sourced from PubChem (CID 79758597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).