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

C14H22FN — CID 63944501

IUPAC3-fluoro-N-heptan-3-yl-4-methylaniline
SMILESCCCCC(CC)Nc1ccc(C)c(F)c1
InChIInChI=1S/C14H22FN/c1-4-6-7-12(5-2)16-13-9-8-11(3)14(15)10-13/h8-10,12,16H,4-7H2,1-3H3
InChIKeyVEJMQTCZCRICFR-UHFFFAOYSA-N
MW223.34 g/mol
LogP4.51
Rot. Bonds6

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

3-fluoro-N-heptan-3-yl-4-methylaniline (PubChem CID 63944501) has the molecular formula C14H22FN and a molecular weight of 223.34 g/mol. Its IUPAC name is 3-fluoro-N-heptan-3-yl-4-methylaniline.

Molecular Properties

Compound Name3-fluoro-N-heptan-3-yl-4-methylaniline
PubChem CID63944501
Molecular FormulaC14H22FN
Molecular Weight223.34 g/mol
Exact Mass223.17
IUPAC Name3-fluoro-N-heptan-3-yl-4-methylaniline
SMILESCCCCC(CC)Nc1ccc(C)c(F)c1
InChIInChI=1S/C14H22FN/c1-4-6-7-12(5-2)16-13-9-8-11(3)14(15)10-13/h8-10,12,16H,4-7H2,1-3H3
InChIKeyVEJMQTCZCRICFR-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

3-bromo-N-heptan-3-yl-4-methylaniline
CID 63946952
3-fluoro-N-heptan-3-yl-4-methoxyaniline
CID 63944319
4-fluoro-N-heptan-3-yl-3-methoxyaniline
CID 114838067
2-fluoro-N-heptan-3-yl-4-methylaniline
CID 63944900
4-fluoro-N-octan-3-ylaniline
CID 150524995
N-decyl-3-fluoro-4-methylaniline
CID 63488478
2-(3-fluoro-4-methylanilino)-N-pentan-3-ylpropanamide
CID 43113139
(2S)-2-amino-N-(3-fluoro-4-methylphenyl)hexanamide
CID 103830895
N-heptan-3-yl-4-(trifluoromethyl)aniline
CID 63947289
2-fluoro-4-(octan-4-ylamino)benzonitrile
CID 106024605
N-heptan-3-yl-2,3-dihydro-1,4-benzodioxin-6-amine
CID 63945872
4-ethoxy-3-fluoro-N-hexan-3-ylaniline
CID 114079602

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-heptan-3-yl-4-methylaniline?
The IUPAC name of 3-fluoro-N-heptan-3-yl-4-methylaniline (CID 63944501) is 3-fluoro-N-heptan-3-yl-4-methylaniline.
What is the SMILES notation for 3-fluoro-N-heptan-3-yl-4-methylaniline?
The canonical SMILES for 3-fluoro-N-heptan-3-yl-4-methylaniline is CCCCC(CC)Nc1ccc(C)c(F)c1.
What is the InChIKey of 3-fluoro-N-heptan-3-yl-4-methylaniline?
The InChIKey is VEJMQTCZCRICFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-4-6-7-12(5-2)16-13-9-8-11(3)14(15)10-13/h8-10,12,16H,4-7H2,1-3H3.
What are the key properties of 3-fluoro-N-heptan-3-yl-4-methylaniline?
3-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 3-fluoro-N-heptan-3-yl-4-methylaniline is sourced from PubChem (CID 63944501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).