3-(3-butoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine

C19H23F2NO — CID 83975609

IUPAC3-(3-butoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine
SMILESCCCCOc1cccc(CC(CN)c2cc(F)ccc2F)c1
InChIInChI=1S/C19H23F2NO/c1-2-3-9-23-17-6-4-5-14(11-17)10-15(13-22)18-12-16(20)7-8-19(18)21/h4-8,11-12,15H,2-3,9-10,13,22H2,1H3
InChIKeyWRKRCVMFKDGNEK-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.43
Rot. Bonds8

About 3-(3-butoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine

3-(3-butoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine (PubChem CID 83975609) has the molecular formula C19H23F2NO and a molecular weight of 319.40 g/mol. Its IUPAC name is 3-(3-butoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-butoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine
PubChem CID83975609
Molecular FormulaC19H23F2NO
Molecular Weight319.40 g/mol
Exact Mass319.17
IUPAC Name3-(3-butoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine
SMILESCCCCOc1cccc(CC(CN)c2cc(F)ccc2F)c1
InChIInChI=1S/C19H23F2NO/c1-2-3-9-23-17-6-4-5-14(11-17)10-15(13-22)18-12-16(20)7-8-19(18)21/h4-8,11-12,15H,2-3,9-10,13,22H2,1H3
InChIKeyWRKRCVMFKDGNEK-UHFFFAOYSA-N
XLogP4.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.43
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-(3-butoxyphenyl)-2-(2-ethoxyphenyl)propan-1-amine
CID 83974462
2-(2,4-difluorophenyl)-3-(4-hexoxyphenyl)propan-1-amine
CID 112539034
3-(3-butoxyphenyl)-2-thiophen-2-ylpropan-1-amine
CID 83975965
2-(2-ethoxy-5-fluorophenyl)-3-(3-propan-2-yloxyphenyl)propan-1-amine
CID 83974775
2-(5-fluoro-2-methoxyphenyl)-3-(3-methoxyphenyl)propan-1-amine
CID 82141160
(2R)-1-(3-butoxyphenyl)propan-2-amine
CID 171719991
2-(2-bromophenyl)-3-(3-propoxyphenyl)propan-1-amine
CID 112539075
2-(2-fluorophenyl)-3-(4-hexoxyphenyl)propan-1-amine
CID 83975523
2-(4-ethoxy-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine
CID 83974319
3-(2,3-diethoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine
CID 83975628
2-(3-ethoxyphenyl)-3-(4-pentoxyphenyl)propan-1-amine
CID 83973282
2-(3-methoxyphenyl)-3-(3-propoxyphenyl)propan-1-amine
CID 83972606

Frequently Asked Questions

What is the IUPAC name of 3-(3-butoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine?
The IUPAC name of 3-(3-butoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine (CID 83975609) is 3-(3-butoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine.
What is the SMILES notation for 3-(3-butoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine?
The canonical SMILES for 3-(3-butoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine is CCCCOc1cccc(CC(CN)c2cc(F)ccc2F)c1.
What is the InChIKey of 3-(3-butoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine?
The InChIKey is WRKRCVMFKDGNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2NO/c1-2-3-9-23-17-6-4-5-14(11-17)10-15(13-22)18-12-16(20)7-8-19(18)21/h4-8,11-12,15H,2-3,9-10,13,22H2,1H3.
What are the key properties of 3-(3-butoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine?
3-(3-butoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine has a molecular weight of 319.40 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-butoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine is sourced from PubChem (CID 83975609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).