3-[4-(2,3-difluorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propylpropan-1-amine

C24H31F2N — CID 70242607

IUPAC3-[4-(2,3-difluorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propylpropan-1-amine
SMILESCCCN(CCCc1ccc(C2CC(F)C2F)cc1)CCc1ccccc1
InChIInChI=1S/C24H31F2N/c1-2-15-27(17-14-19-7-4-3-5-8-19)16-6-9-20-10-12-21(13-11-20)22-18-23(25)24(22)26/h3-5,7-8,10-13,22-24H,2,6,9,14-18H2,1H3
InChIKeyZQTZVWWNQWCJMP-UHFFFAOYSA-N
MW371.52 g/mol
LogP5.74
Rot. Bonds10

About 3-[4-(2,3-difluorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propylpropan-1-amine

3-[4-(2,3-difluorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propylpropan-1-amine (PubChem CID 70242607) has the molecular formula C24H31F2N and a molecular weight of 371.52 g/mol. Its IUPAC name is 3-[4-(2,3-difluorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-[4-(2,3-difluorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propylpropan-1-amine
PubChem CID70242607
Molecular FormulaC24H31F2N
Molecular Weight371.52 g/mol
Exact Mass371.24
IUPAC Name3-[4-(2,3-difluorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propylpropan-1-amine
SMILESCCCN(CCCc1ccc(C2CC(F)C2F)cc1)CCc1ccccc1
InChIInChI=1S/C24H31F2N/c1-2-15-27(17-14-19-7-4-3-5-8-19)16-6-9-20-10-12-21(13-11-20)22-18-23(25)24(22)26/h3-5,7-8,10-13,22-24H,2,6,9,14-18H2,1H3
InChIKeyZQTZVWWNQWCJMP-UHFFFAOYSA-N
XLogP5.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.52
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[4-(2,3-difluorocyclobutyl)phenyl]-N-methyl-N-(2-phenylethyl)propan-1-amine
CID 70243832
N-(2-phenylethyl)-N-propyl-3-[4-[2-(trifluoromethyl)cyclohexyl]phenyl]propan-1-amine
CID 70242553
acetonitrile;N-benzyl-3-[4-(2,3-difluorocyclobutyl)phenyl]-N-methylpropan-1-amine
CID 70243158
acetonitrile;3-[4-(2,6-difluorocyclohexyl)phenyl]-N-(2-phenylethyl)-N-propylpropan-1-amine
CID 70243785
N-ethyl-3-[4-(2-fluorocyclohexyl)phenyl]-N-(2-phenylethyl)propan-1-amine
CID 70241559
N-benzyl-4-[4-(2,3-difluorocyclobutyl)phenyl]-N-propylbutan-2-amine
CID 70238656
N-(2-phenylethyl)-N-propyl-3-[4-[3-(trifluoromethyl)cyclopentyl]phenyl]propan-1-amine
CID 70238562
N-benzyl-3-[4-(2-chlorocyclopropyl)phenyl]-N-propylpropan-1-amine
CID 70243047
3-[4-(2-fluorocyclopropyl)phenyl]-N-methyl-N-(2-phenylethyl)propan-1-amine
CID 70243797
3-[4-(3,4-difluorocyclohexyl)phenyl]-N-ethyl-N-(2-phenylethyl)propan-1-amine
CID 70242028
3-[4-(2-fluorocyclopropyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylpropan-1-amine
CID 70241891
N-benzyl-3-[4-(2-bromocyclobutyl)phenyl]-N-propylpropan-1-amine
CID 70241140

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,3-difluorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propylpropan-1-amine?
The IUPAC name of 3-[4-(2,3-difluorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propylpropan-1-amine (CID 70242607) is 3-[4-(2,3-difluorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propylpropan-1-amine.
What is the SMILES notation for 3-[4-(2,3-difluorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propylpropan-1-amine?
The canonical SMILES for 3-[4-(2,3-difluorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propylpropan-1-amine is CCCN(CCCc1ccc(C2CC(F)C2F)cc1)CCc1ccccc1.
What is the InChIKey of 3-[4-(2,3-difluorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propylpropan-1-amine?
The InChIKey is ZQTZVWWNQWCJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F2N/c1-2-15-27(17-14-19-7-4-3-5-8-19)16-6-9-20-10-12-21(13-11-20)22-18-23(25)24(22)26/h3-5,7-8,10-13,22-24H,2,6,9,14-18H2,1H3.
What are the key properties of 3-[4-(2,3-difluorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propylpropan-1-amine?
3-[4-(2,3-difluorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propylpropan-1-amine has a molecular weight of 371.52 g/mol, XLogP of 5.74, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,3-difluorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propylpropan-1-amine is sourced from PubChem (CID 70242607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).