3-fluoro-N-[(4-propan-2-yloxyphenyl)methyl]aniline

C16H18FNO — CID 39360354

IUPAC3-fluoro-N-[(4-propan-2-yloxyphenyl)methyl]aniline
SMILESCC(C)Oc1ccc(CNc2cccc(F)c2)cc1
InChIInChI=1S/C16H18FNO/c1-12(2)19-16-8-6-13(7-9-16)11-18-15-5-3-4-14(17)10-15/h3-10,12,18H,11H2,1-2H3
InChIKeyUWYLBGFHBGOURC-UHFFFAOYSA-N
MW259.32 g/mol
LogP4.22
Rot. Bonds5

About 3-fluoro-N-[(4-propan-2-yloxyphenyl)methyl]aniline

3-fluoro-N-[(4-propan-2-yloxyphenyl)methyl]aniline (PubChem CID 39360354) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 3-fluoro-N-[(4-propan-2-yloxyphenyl)methyl]aniline.

Molecular Properties

Compound Name3-fluoro-N-[(4-propan-2-yloxyphenyl)methyl]aniline
PubChem CID39360354
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name3-fluoro-N-[(4-propan-2-yloxyphenyl)methyl]aniline
SMILESCC(C)Oc1ccc(CNc2cccc(F)c2)cc1
InChIInChI=1S/C16H18FNO/c1-12(2)19-16-8-6-13(7-9-16)11-18-15-5-3-4-14(17)10-15/h3-10,12,18H,11H2,1-2H3
InChIKeyUWYLBGFHBGOURC-UHFFFAOYSA-N
XLogP4.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dichloro-4-fluoro-N-[(4-propan-2-yloxyphenyl)methyl]aniline
CID 107572877
N-[[4-(2-methylpropoxy)phenyl]methyl]-3-propan-2-yloxyaniline
CID 54802906
N-benzyl-4-propan-2-yloxyaniline
CID 28969524
4-propan-2-yloxy-N-[(3,4,5-trifluorophenyl)methyl]aniline
CID 63052213
N'-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 54806264
N'-[3-(2-methylpropoxy)phenyl]-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 54808556
N-[[4-(2-methylpropoxy)phenyl]methyl]-4-propan-2-yloxyaniline
CID 39455797
2-(3-fluoroanilino)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 71968998
N-[[4-(difluoromethoxy)phenyl]methyl]-3-iodoaniline
CID 28977429
N-[(4-fluorophenyl)methyl]-3-(3-methylbutoxy)aniline
CID 54800545
4-chloro-3-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]aniline
CID 107621263
N-[(2-chloro-4-fluorophenyl)methyl]-4-propan-2-yloxyaniline
CID 28969852

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(4-propan-2-yloxyphenyl)methyl]aniline?
The IUPAC name of 3-fluoro-N-[(4-propan-2-yloxyphenyl)methyl]aniline (CID 39360354) is 3-fluoro-N-[(4-propan-2-yloxyphenyl)methyl]aniline.
What is the SMILES notation for 3-fluoro-N-[(4-propan-2-yloxyphenyl)methyl]aniline?
The canonical SMILES for 3-fluoro-N-[(4-propan-2-yloxyphenyl)methyl]aniline is CC(C)Oc1ccc(CNc2cccc(F)c2)cc1.
What is the InChIKey of 3-fluoro-N-[(4-propan-2-yloxyphenyl)methyl]aniline?
The InChIKey is UWYLBGFHBGOURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-12(2)19-16-8-6-13(7-9-16)11-18-15-5-3-4-14(17)10-15/h3-10,12,18H,11H2,1-2H3.
What are the key properties of 3-fluoro-N-[(4-propan-2-yloxyphenyl)methyl]aniline?
3-fluoro-N-[(4-propan-2-yloxyphenyl)methyl]aniline has a molecular weight of 259.32 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(4-propan-2-yloxyphenyl)methyl]aniline is sourced from PubChem (CID 39360354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).