2-fluoro-N-heptan-3-yl-4-methylaniline

C14H22FN — CID 63944900

IUPAC2-fluoro-N-heptan-3-yl-4-methylaniline
SMILESCCCCC(CC)Nc1ccc(C)cc1F
InChIInChI=1S/C14H22FN/c1-4-6-7-12(5-2)16-14-9-8-11(3)10-13(14)15/h8-10,12,16H,4-7H2,1-3H3
InChIKeyZUJNBJDFRKFICT-UHFFFAOYSA-N
MW223.34 g/mol
LogP4.51
Rot. Bonds6

About 2-fluoro-N-heptan-3-yl-4-methylaniline

2-fluoro-N-heptan-3-yl-4-methylaniline (PubChem CID 63944900) has the molecular formula C14H22FN and a molecular weight of 223.34 g/mol. Its IUPAC name is 2-fluoro-N-heptan-3-yl-4-methylaniline.

Molecular Properties

Compound Name2-fluoro-N-heptan-3-yl-4-methylaniline
PubChem CID63944900
Molecular FormulaC14H22FN
Molecular Weight223.34 g/mol
Exact Mass223.17
IUPAC Name2-fluoro-N-heptan-3-yl-4-methylaniline
SMILESCCCCC(CC)Nc1ccc(C)cc1F
InChIInChI=1S/C14H22FN/c1-4-6-7-12(5-2)16-14-9-8-11(3)10-13(14)15/h8-10,12,16H,4-7H2,1-3H3
InChIKeyZUJNBJDFRKFICT-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-4-methyl-N-octan-2-ylaniline
CID 43130115
N-(2,6-dimethylheptan-4-yl)-2-fluoro-4-methylaniline
CID 28890755
3-fluoro-N-heptan-3-yl-4-methylaniline
CID 63944501
2-chloro-5-fluoro-N-heptan-3-ylaniline
CID 107527238
5-fluoro-2-(heptan-3-ylamino)benzonitrile
CID 82015181
2-fluoro-4-methyl-N-(1-phenylpropyl)aniline
CID 43114235
2-fluoro-N-[1-(2-fluorophenyl)propyl]-4-methylaniline
CID 112676899
2-(hexan-3-ylamino)-5-methylbenzonitrile
CID 107927370
1-(2-fluoro-4-methylphenyl)pentan-1-ol
CID 115783255
3-fluoro-N-heptan-3-yl-4-methoxyaniline
CID 63944319
4-fluoro-N-heptan-3-yl-3-methoxyaniline
CID 114838067
2-chloro-4-methyl-N-pentan-3-ylaniline
CID 28967739

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-heptan-3-yl-4-methylaniline?
The IUPAC name of 2-fluoro-N-heptan-3-yl-4-methylaniline (CID 63944900) is 2-fluoro-N-heptan-3-yl-4-methylaniline.
What is the SMILES notation for 2-fluoro-N-heptan-3-yl-4-methylaniline?
The canonical SMILES for 2-fluoro-N-heptan-3-yl-4-methylaniline is CCCCC(CC)Nc1ccc(C)cc1F.
What is the InChIKey of 2-fluoro-N-heptan-3-yl-4-methylaniline?
The InChIKey is ZUJNBJDFRKFICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-4-6-7-12(5-2)16-14-9-8-11(3)10-13(14)15/h8-10,12,16H,4-7H2,1-3H3.
What are the key properties of 2-fluoro-N-heptan-3-yl-4-methylaniline?
2-fluoro-N-heptan-3-yl-4-methylaniline has a molecular weight of 223.34 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-heptan-3-yl-4-methylaniline is sourced from PubChem (CID 63944900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).