2-(4-fluorophenyl)-3-(2-pentoxyphenyl)propan-1-amine

C20H26FNO — CID 82160370

IUPAC2-(4-fluorophenyl)-3-(2-pentoxyphenyl)propan-1-amine
SMILESCCCCCOc1ccccc1CC(CN)c1ccc(F)cc1
InChIInChI=1S/C20H26FNO/c1-2-3-6-13-23-20-8-5-4-7-17(20)14-18(15-22)16-9-11-19(21)12-10-16/h4-5,7-12,18H,2-3,6,13-15,22H2,1H3
InChIKeySBDYPHIVBSFEQH-UHFFFAOYSA-N
MW315.43 g/mol
LogP4.68
Rot. Bonds9

About 2-(4-fluorophenyl)-3-(2-pentoxyphenyl)propan-1-amine

2-(4-fluorophenyl)-3-(2-pentoxyphenyl)propan-1-amine (PubChem CID 82160370) has the molecular formula C20H26FNO and a molecular weight of 315.43 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(2-pentoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(2-pentoxyphenyl)propan-1-amine
PubChem CID82160370
Molecular FormulaC20H26FNO
Molecular Weight315.43 g/mol
Exact Mass315.20
IUPAC Name2-(4-fluorophenyl)-3-(2-pentoxyphenyl)propan-1-amine
SMILESCCCCCOc1ccccc1CC(CN)c1ccc(F)cc1
InChIInChI=1S/C20H26FNO/c1-2-3-6-13-23-20-8-5-4-7-17(20)14-18(15-22)16-9-11-19(21)12-10-16/h4-5,7-12,18H,2-3,6,13-15,22H2,1H3
InChIKeySBDYPHIVBSFEQH-UHFFFAOYSA-N
XLogP4.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.43
LogP ≤ 54.68
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

2-(4-fluorophenyl)-3-(2-methoxy-3-propoxyphenyl)propan-1-amine
CID 82160452
2-(4-fluorophenyl)-3-(2-propan-2-yloxyphenyl)propan-1-amine
CID 82160549
3-(2-ethoxy-3-methoxyphenyl)-2-(4-fluorophenyl)propan-1-amine
CID 83973795
2-(4-fluorophenyl)heptan-1-amine
CID 79442393
3-(2-bromophenyl)-2-(4-fluorophenyl)propan-1-amine
CID 79442108
3-[2-(2-methylpropoxy)phenyl]-2-phenylpropan-1-amine
CID 82160440
2-(4-fluorophenyl)hexan-1-amine
CID 79442321
4-fluoro-N-[(2-pentoxyphenyl)methyl]aniline
CID 54796466
2-(4-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 82160885
3-(2-methoxy-3-propoxyphenyl)-2-(4-methylphenyl)propan-1-amine
CID 82160341
1-ethyl-2-heptoxybenzene
CID 22723794
2-(4-fluorophenyl)-3-(2,4,5-trimethoxyphenyl)propan-1-amine
CID 83973785

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-(2-pentoxyphenyl)propan-1-amine?
The IUPAC name of 2-(4-fluorophenyl)-3-(2-pentoxyphenyl)propan-1-amine (CID 82160370) is 2-(4-fluorophenyl)-3-(2-pentoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(2-pentoxyphenyl)propan-1-amine?
The canonical SMILES for 2-(4-fluorophenyl)-3-(2-pentoxyphenyl)propan-1-amine is CCCCCOc1ccccc1CC(CN)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-(2-pentoxyphenyl)propan-1-amine?
The InChIKey is SBDYPHIVBSFEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FNO/c1-2-3-6-13-23-20-8-5-4-7-17(20)14-18(15-22)16-9-11-19(21)12-10-16/h4-5,7-12,18H,2-3,6,13-15,22H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-3-(2-pentoxyphenyl)propan-1-amine?
2-(4-fluorophenyl)-3-(2-pentoxyphenyl)propan-1-amine has a molecular weight of 315.43 g/mol, XLogP of 4.68, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(2-pentoxyphenyl)propan-1-amine is sourced from PubChem (CID 82160370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).