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

C12H18FNO — CID 53434413

IUPAC3-[4-(3-fluoropropoxy)phenyl]propan-1-amine
SMILESNCCCc1ccc(OCCCF)cc1
InChIInChI=1S/C12H18FNO/c13-8-2-10-15-12-6-4-11(5-7-12)3-1-9-14/h4-7H,1-3,8-10,14H2
InChIKeyBUKOVMYBJWBZPI-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.32
Rot. Bonds7

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

3-[4-(3-fluoropropoxy)phenyl]propan-1-amine (PubChem CID 53434413) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 3-[4-(3-fluoropropoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(3-fluoropropoxy)phenyl]propan-1-amine
PubChem CID53434413
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name3-[4-(3-fluoropropoxy)phenyl]propan-1-amine
SMILESNCCCc1ccc(OCCCF)cc1
InChIInChI=1S/C12H18FNO/c13-8-2-10-15-12-6-4-11(5-7-12)3-1-9-14/h4-7H,1-3,8-10,14H2
InChIKeyBUKOVMYBJWBZPI-UHFFFAOYSA-N
XLogP2.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-hexadecoxyphenyl)propan-1-amine
CID 170867453
3-[4-(2,2-difluoroethoxy)phenyl]propan-1-amine
CID 84783908
2-[4-[7-[4-(2-aminoethyl)phenoxy]heptoxy]phenyl]ethanamine
CID 138454042
3-[4-(3-aminopropoxy)phenoxy]propan-1-amine
CID 3650737
4-(4-heptylphenoxy)butan-1-amine
CID 164576429
3-[4-(2,2-difluoropropoxy)phenyl]propan-1-amine
CID 84792717
1-butoxy-4-[4-(4-fluorobutyl)phenyl]benzene
CID 19789101
2-[4-(3-phenylpropoxy)phenyl]ethanamine;hydrochloride
CID 11680862
4-[3-(4-aminophenoxy)propyl]aniline
CID 146744980
3-[4-(3-aminopropyl)phenyl]propan-1-amine;dihydrochloride
CID 22743257
3-[4-(difluoromethoxy)phenyl]propan-1-amine
CID 53275741
3-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 43445791

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-fluoropropoxy)phenyl]propan-1-amine?
The IUPAC name of 3-[4-(3-fluoropropoxy)phenyl]propan-1-amine (CID 53434413) is 3-[4-(3-fluoropropoxy)phenyl]propan-1-amine.
What is the SMILES notation for 3-[4-(3-fluoropropoxy)phenyl]propan-1-amine?
The canonical SMILES for 3-[4-(3-fluoropropoxy)phenyl]propan-1-amine is NCCCc1ccc(OCCCF)cc1.
What is the InChIKey of 3-[4-(3-fluoropropoxy)phenyl]propan-1-amine?
The InChIKey is BUKOVMYBJWBZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c13-8-2-10-15-12-6-4-11(5-7-12)3-1-9-14/h4-7H,1-3,8-10,14H2.
What are the key properties of 3-[4-(3-fluoropropoxy)phenyl]propan-1-amine?
3-[4-(3-fluoropropoxy)phenyl]propan-1-amine has a molecular weight of 211.28 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-fluoropropoxy)phenyl]propan-1-amine is sourced from PubChem (CID 53434413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).