3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine

C25H27F2NO — CID 5032799

IUPAC3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine
SMILESCC(C)Oc1ccc(C(CCNCc2ccc(F)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C25H27F2NO/c1-18(2)29-24-13-7-21(8-14-24)25(20-5-11-23(27)12-6-20)15-16-28-17-19-3-9-22(26)10-4-19/h3-14,18,25,28H,15-17H2,1-2H3
InChIKeyPIESUQVPWCTSHG-UHFFFAOYSA-N
MW395.49 g/mol
LogP6.06
Rot. Bonds9

About 3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine

3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine (PubChem CID 5032799) has the molecular formula C25H27F2NO and a molecular weight of 395.49 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine
PubChem CID5032799
Molecular FormulaC25H27F2NO
Molecular Weight395.49 g/mol
Exact Mass395.21
IUPAC Name3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine
SMILESCC(C)Oc1ccc(C(CCNCc2ccc(F)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C25H27F2NO/c1-18(2)29-24-13-7-21(8-14-24)25(20-5-11-23(27)12-6-20)15-16-28-17-19-3-9-22(26)10-4-19/h3-14,18,25,28H,15-17H2,1-2H3
InChIKeyPIESUQVPWCTSHG-UHFFFAOYSA-N
XLogP6.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.49
LogP ≤ 56.06
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-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine
CID 5122382
N'-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 54806264
(3R)-N-benzyl-6-methyl-3-(4-propan-2-yloxyphenyl)heptan-1-amine
CID 2048004
(3R)-N-[(4-methoxyphenyl)methyl]-6-methyl-3-(4-propan-2-yloxyphenyl)heptan-1-amine
CID 7714620
3-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 3536820
1-[(3R)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]pyrrolidine-2,5-dione
CID 2047574
2-(4-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanol
CID 61087614
N'-(4-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 54807029
[4-(dimethylamino)phenyl]methyl-[(3R)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]azanium
CID 2045301
N-(2-methoxyethyl)-N'-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 54810062
2-[(3S)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]isoindole-1,3-dione
CID 2041078
1-[(4-fluorophenyl)methyl]-3-[4-(4-propan-2-yloxyphenyl)butan-2-yl]urea
CID 60544210

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine?
The IUPAC name of 3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine (CID 5032799) is 3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine?
The canonical SMILES for 3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine is CC(C)Oc1ccc(C(CCNCc2ccc(F)cc2)c2ccc(F)cc2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine?
The InChIKey is PIESUQVPWCTSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2NO/c1-18(2)29-24-13-7-21(8-14-24)25(20-5-11-23(27)12-6-20)15-16-28-17-19-3-9-22(26)10-4-19/h3-14,18,25,28H,15-17H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine?
3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine has a molecular weight of 395.49 g/mol, XLogP of 6.06, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine is sourced from PubChem (CID 5032799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).