2-fluoro-5-[3-(propan-2-ylamino)propyl]aniline

C12H19FN2 — CID 84677881

IUPAC2-fluoro-5-[3-(propan-2-ylamino)propyl]aniline
SMILESCC(C)NCCCc1ccc(F)c(N)c1
InChIInChI=1S/C12H19FN2/c1-9(2)15-7-3-4-10-5-6-11(13)12(14)8-10/h5-6,8-9,15H,3-4,7,14H2,1-2H3
InChIKeyCHQUFVNZDKCTKY-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.34
Rot. Bonds5

About 2-fluoro-5-[3-(propan-2-ylamino)propyl]aniline

2-fluoro-5-[3-(propan-2-ylamino)propyl]aniline (PubChem CID 84677881) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-fluoro-5-[3-(propan-2-ylamino)propyl]aniline.

Molecular Properties

Compound Name2-fluoro-5-[3-(propan-2-ylamino)propyl]aniline
PubChem CID84677881
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name2-fluoro-5-[3-(propan-2-ylamino)propyl]aniline
SMILESCC(C)NCCCc1ccc(F)c(N)c1
InChIInChI=1S/C12H19FN2/c1-9(2)15-7-3-4-10-5-6-11(13)12(14)8-10/h5-6,8-9,15H,3-4,7,14H2,1-2H3
InChIKeyCHQUFVNZDKCTKY-UHFFFAOYSA-N
XLogP2.34
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-phenylmethoxy-5-[3-(propan-2-ylamino)propyl]aniline
CID 82153119
2-fluoro-5-[2-(4-methylphenyl)ethyl]aniline
CID 58021964
6-(3,4-dimethylphenyl)-N-propan-2-ylhexan-1-amine
CID 65308314
5-(3,4-difluorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine
CID 65304479
3-phenyl-N-propan-2-ylpropan-1-amine
CID 11412689
5-[3-(3,4-difluoroanilino)propyl]-2-propan-2-yloxyaniline
CID 94760435
5-ethyl-2-fluoroaniline
CID 10630567
N-propan-2-yl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
CID 65305272
5-(4-fluoro-3-methylphenyl)-3-methyl-N-propan-2-ylpentan-1-amine
CID 79735912
4-(4-butylphenyl)-N-propan-2-ylbutan-1-amine
CID 65305422
5-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-propan-2-ylpentan-1-amine
CID 79734919
1,3-dimethyl-5-[3-(propan-2-ylamino)propyl]benzimidazol-2-one
CID 96677960

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[3-(propan-2-ylamino)propyl]aniline?
The IUPAC name of 2-fluoro-5-[3-(propan-2-ylamino)propyl]aniline (CID 84677881) is 2-fluoro-5-[3-(propan-2-ylamino)propyl]aniline.
What is the SMILES notation for 2-fluoro-5-[3-(propan-2-ylamino)propyl]aniline?
The canonical SMILES for 2-fluoro-5-[3-(propan-2-ylamino)propyl]aniline is CC(C)NCCCc1ccc(F)c(N)c1.
What is the InChIKey of 2-fluoro-5-[3-(propan-2-ylamino)propyl]aniline?
The InChIKey is CHQUFVNZDKCTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2/c1-9(2)15-7-3-4-10-5-6-11(13)12(14)8-10/h5-6,8-9,15H,3-4,7,14H2,1-2H3.
What are the key properties of 2-fluoro-5-[3-(propan-2-ylamino)propyl]aniline?
2-fluoro-5-[3-(propan-2-ylamino)propyl]aniline has a molecular weight of 210.30 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[3-(propan-2-ylamino)propyl]aniline is sourced from PubChem (CID 84677881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).