4-fluoro-3-methyl-N-[2-(oxolan-2-yl)ethyl]aniline

C13H18FNO — CID 63181207

IUPAC4-fluoro-3-methyl-N-[2-(oxolan-2-yl)ethyl]aniline
SMILESCc1cc(NCCC2CCCO2)ccc1F
InChIInChI=1S/C13H18FNO/c1-10-9-11(4-5-13(10)14)15-7-6-12-3-2-8-16-12/h4-5,9,12,15H,2-3,6-8H2,1H3
InChIKeyOFBDQQSXLXRBAT-UHFFFAOYSA-N
MW223.29 g/mol
LogP3.12
Rot. Bonds4

About 4-fluoro-3-methyl-N-[2-(oxolan-2-yl)ethyl]aniline

4-fluoro-3-methyl-N-[2-(oxolan-2-yl)ethyl]aniline (PubChem CID 63181207) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-[2-(oxolan-2-yl)ethyl]aniline.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-[2-(oxolan-2-yl)ethyl]aniline
PubChem CID63181207
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name4-fluoro-3-methyl-N-[2-(oxolan-2-yl)ethyl]aniline
SMILESCc1cc(NCCC2CCCO2)ccc1F
InChIInChI=1S/C13H18FNO/c1-10-9-11(4-5-13(10)14)15-7-6-12-3-2-8-16-12/h4-5,9,12,15H,2-3,6-8H2,1H3
InChIKeyOFBDQQSXLXRBAT-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-fluoro-N-[2-(oxolan-2-yl)ethyl]aniline
CID 78925566
2-methyl-4-[2-(oxolan-2-yl)ethylamino]benzonitrile
CID 81273129
4-fluoro-3-methyl-N-(2-morpholin-2-ylethyl)aniline
CID 115239076
2-fluoro-4-[2-(oxolan-2-yl)ethylamino]benzoic acid
CID 113319760
3-iodo-N-[2-(oxolan-2-yl)ethyl]aniline
CID 65163284
N-[2-(oxolan-2-yl)ethyl]-4-propan-2-ylaniline
CID 63182100
3-bromo-5-methyl-N-[2-(oxolan-2-yl)ethyl]aniline
CID 102975836
4-bromo-2,6-difluoro-N-[2-(oxolan-2-yl)ethyl]aniline
CID 65467440
2-amino-N-methyl-4-[2-(oxolan-2-yl)ethylamino]benzenesulfonamide
CID 80646014
3-N-methyl-5-N-[2-(oxolan-2-yl)ethyl]pyridine-3,5-diamine
CID 104533904
N-[(2,5-difluorophenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 54893285
3,4,5-trimethoxy-N-[2-(oxolan-2-yl)ethyl]aniline
CID 65163543

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-[2-(oxolan-2-yl)ethyl]aniline?
The IUPAC name of 4-fluoro-3-methyl-N-[2-(oxolan-2-yl)ethyl]aniline (CID 63181207) is 4-fluoro-3-methyl-N-[2-(oxolan-2-yl)ethyl]aniline.
What is the SMILES notation for 4-fluoro-3-methyl-N-[2-(oxolan-2-yl)ethyl]aniline?
The canonical SMILES for 4-fluoro-3-methyl-N-[2-(oxolan-2-yl)ethyl]aniline is Cc1cc(NCCC2CCCO2)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-[2-(oxolan-2-yl)ethyl]aniline?
The InChIKey is OFBDQQSXLXRBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-10-9-11(4-5-13(10)14)15-7-6-12-3-2-8-16-12/h4-5,9,12,15H,2-3,6-8H2,1H3.
What are the key properties of 4-fluoro-3-methyl-N-[2-(oxolan-2-yl)ethyl]aniline?
4-fluoro-3-methyl-N-[2-(oxolan-2-yl)ethyl]aniline has a molecular weight of 223.29 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-[2-(oxolan-2-yl)ethyl]aniline is sourced from PubChem (CID 63181207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).