3-[4-(1-fluoroethyl)phenyl]propan-1-amine

C11H16FN — CID 84658143

IUPAC3-[4-(1-fluoroethyl)phenyl]propan-1-amine
SMILESCC(F)c1ccc(CCCN)cc1
InChIInChI=1S/C11H16FN/c1-9(12)11-6-4-10(5-7-11)3-2-8-13/h4-7,9H,2-3,8,13H2,1H3
InChIKeyOUAQHCIITLLIHG-UHFFFAOYSA-N
MW181.25 g/mol
LogP2.61
Rot. Bonds4

About 3-[4-(1-fluoroethyl)phenyl]propan-1-amine

3-[4-(1-fluoroethyl)phenyl]propan-1-amine (PubChem CID 84658143) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is 3-[4-(1-fluoroethyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(1-fluoroethyl)phenyl]propan-1-amine
PubChem CID84658143
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name3-[4-(1-fluoroethyl)phenyl]propan-1-amine
SMILESCC(F)c1ccc(CCCN)cc1
InChIInChI=1S/C11H16FN/c1-9(12)11-6-4-10(5-7-11)3-2-8-13/h4-7,9H,2-3,8,13H2,1H3
InChIKeyOUAQHCIITLLIHG-UHFFFAOYSA-N
XLogP2.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[4-(3-aminopropyl)phenyl]propan-1-amine;dihydrochloride
CID 22743257
3-[4-(2,2,2-trifluoro-1-methoxyethyl)phenyl]propan-1-amine
CID 84737494
1-[4-(3-aminopropyl)phenyl]-2,2,2-trifluoroethanol
CID 69251784
3-[4-(difluoromethoxy)phenyl]propan-1-amine
CID 53275741
4-(4-butylphenyl)pentan-1-amine
CID 82286120
4-[4-(4-aminobutyl)phenyl]butan-1-amine
CID 13016028
O-[[4-(1-fluoroethyl)phenyl]methyl]hydroxylamine
CID 117276742
4-[4-(4-methylpentyl)phenyl]butan-1-amine
CID 143596731
3-[4-(1,1-difluoro-3-methylbutyl)phenyl]propan-1-amine
CID 116992241
3-[4-(2-methoxypropyl)phenyl]propan-1-amine
CID 117296745
3-[4-(2,2-difluoroethoxy)phenyl]propan-1-amine
CID 84783908
4-[4-[(2R)-2-aminopropyl]phenyl]butan-1-amine
CID 57249911

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-fluoroethyl)phenyl]propan-1-amine?
The IUPAC name of 3-[4-(1-fluoroethyl)phenyl]propan-1-amine (CID 84658143) is 3-[4-(1-fluoroethyl)phenyl]propan-1-amine.
What is the SMILES notation for 3-[4-(1-fluoroethyl)phenyl]propan-1-amine?
The canonical SMILES for 3-[4-(1-fluoroethyl)phenyl]propan-1-amine is CC(F)c1ccc(CCCN)cc1.
What is the InChIKey of 3-[4-(1-fluoroethyl)phenyl]propan-1-amine?
The InChIKey is OUAQHCIITLLIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN/c1-9(12)11-6-4-10(5-7-11)3-2-8-13/h4-7,9H,2-3,8,13H2,1H3.
What are the key properties of 3-[4-(1-fluoroethyl)phenyl]propan-1-amine?
3-[4-(1-fluoroethyl)phenyl]propan-1-amine has a molecular weight of 181.25 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-fluoroethyl)phenyl]propan-1-amine is sourced from PubChem (CID 84658143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).