4-fluoro-3-methoxy-N-[1-(oxolan-3-yl)ethyl]aniline

C13H18FNO2 — CID 114838689

IUPAC4-fluoro-3-methoxy-N-[1-(oxolan-3-yl)ethyl]aniline
SMILESCOc1cc(NC(C)C2CCOC2)ccc1F
InChIInChI=1S/C13H18FNO2/c1-9(10-5-6-17-8-10)15-11-3-4-12(14)13(7-11)16-2/h3-4,7,9-10,15H,5-6,8H2,1-2H3
InChIKeyNSYZMPQHUHNNOZ-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.67
Rot. Bonds4

About 4-fluoro-3-methoxy-N-[1-(oxolan-3-yl)ethyl]aniline

4-fluoro-3-methoxy-N-[1-(oxolan-3-yl)ethyl]aniline (PubChem CID 114838689) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 4-fluoro-3-methoxy-N-[1-(oxolan-3-yl)ethyl]aniline.

Molecular Properties

Compound Name4-fluoro-3-methoxy-N-[1-(oxolan-3-yl)ethyl]aniline
PubChem CID114838689
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name4-fluoro-3-methoxy-N-[1-(oxolan-3-yl)ethyl]aniline
SMILESCOc1cc(NC(C)C2CCOC2)ccc1F
InChIInChI=1S/C13H18FNO2/c1-9(10-5-6-17-8-10)15-11-3-4-12(14)13(7-11)16-2/h3-4,7,9-10,15H,5-6,8H2,1-2H3
InChIKeyNSYZMPQHUHNNOZ-UHFFFAOYSA-N
XLogP2.67
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2-methoxy-N-[1-(oxolan-3-yl)ethyl]aniline
CID 115916579
3-(2,2-difluoroethoxy)-4-methyl-N-[(1S)-1-[(3S)-oxolan-3-yl]ethyl]aniline
CID 124628141
N-[(1S)-1-cyclopropylethyl]-3-fluoro-4-methoxyaniline
CID 93292866
3-bromo-N-[1-(oxolan-3-yl)ethyl]-4-(trifluoromethoxy)aniline
CID 107335961
2-methoxy-5-methyl-N-[1-(oxolan-3-yl)ethyl]aniline
CID 113354819
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 113243362
N-[1-(oxolan-3-yl)ethyl]-4-(trifluoromethoxy)aniline
CID 115916988
3-chloro-N-[1-(oxolan-3-yl)ethyl]-4-propoxyaniline
CID 115917798
2-chloro-1-N,1-N-dimethyl-4-N-[1-(oxolan-3-yl)ethyl]benzene-1,4-diamine
CID 115929193
3-methyl-4-nitro-N-[1-(oxolan-3-yl)ethyl]aniline
CID 115886075
1-cyclopentyl-N-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine
CID 114839107
4-methoxy-3-[1-(oxolan-3-yl)ethylamino]benzamide
CID 115928742

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methoxy-N-[1-(oxolan-3-yl)ethyl]aniline?
The IUPAC name of 4-fluoro-3-methoxy-N-[1-(oxolan-3-yl)ethyl]aniline (CID 114838689) is 4-fluoro-3-methoxy-N-[1-(oxolan-3-yl)ethyl]aniline.
What is the SMILES notation for 4-fluoro-3-methoxy-N-[1-(oxolan-3-yl)ethyl]aniline?
The canonical SMILES for 4-fluoro-3-methoxy-N-[1-(oxolan-3-yl)ethyl]aniline is COc1cc(NC(C)C2CCOC2)ccc1F.
What is the InChIKey of 4-fluoro-3-methoxy-N-[1-(oxolan-3-yl)ethyl]aniline?
The InChIKey is NSYZMPQHUHNNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-9(10-5-6-17-8-10)15-11-3-4-12(14)13(7-11)16-2/h3-4,7,9-10,15H,5-6,8H2,1-2H3.
What are the key properties of 4-fluoro-3-methoxy-N-[1-(oxolan-3-yl)ethyl]aniline?
4-fluoro-3-methoxy-N-[1-(oxolan-3-yl)ethyl]aniline has a molecular weight of 239.29 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methoxy-N-[1-(oxolan-3-yl)ethyl]aniline is sourced from PubChem (CID 114838689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).