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

C22H27F2N — CID 70243832

IUPAC3-[4-(2,3-difluorocyclobutyl)phenyl]-N-methyl-N-(2-phenylethyl)propan-1-amine
SMILESCN(CCCc1ccc(C2CC(F)C2F)cc1)CCc1ccccc1
InChIInChI=1S/C22H27F2N/c1-25(15-13-17-6-3-2-4-7-17)14-5-8-18-9-11-19(12-10-18)20-16-21(23)22(20)24/h2-4,6-7,9-12,20-22H,5,8,13-16H2,1H3
InChIKeyPBLXPQVZEDUFCV-UHFFFAOYSA-N
MW343.46 g/mol
LogP4.96
Rot. Bonds8

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

3-[4-(2,3-difluorocyclobutyl)phenyl]-N-methyl-N-(2-phenylethyl)propan-1-amine (PubChem CID 70243832) has the molecular formula C22H27F2N and a molecular weight of 343.46 g/mol. Its IUPAC name is 3-[4-(2,3-difluorocyclobutyl)phenyl]-N-methyl-N-(2-phenylethyl)propan-1-amine.

Molecular Properties

Compound Name3-[4-(2,3-difluorocyclobutyl)phenyl]-N-methyl-N-(2-phenylethyl)propan-1-amine
PubChem CID70243832
Molecular FormulaC22H27F2N
Molecular Weight343.46 g/mol
Exact Mass343.21
IUPAC Name3-[4-(2,3-difluorocyclobutyl)phenyl]-N-methyl-N-(2-phenylethyl)propan-1-amine
SMILESCN(CCCc1ccc(C2CC(F)C2F)cc1)CCc1ccccc1
InChIInChI=1S/C22H27F2N/c1-25(15-13-17-6-3-2-4-7-17)14-5-8-18-9-11-19(12-10-18)20-16-21(23)22(20)24/h2-4,6-7,9-12,20-22H,5,8,13-16H2,1H3
InChIKeyPBLXPQVZEDUFCV-UHFFFAOYSA-N
XLogP4.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[4-(2-fluorocyclopropyl)phenyl]-N-methyl-N-(2-phenylethyl)propan-1-amine
CID 70243797
acetonitrile;N-benzyl-3-[4-(2,3-difluorocyclobutyl)phenyl]-N-methylpropan-1-amine
CID 70243158
3-[4-(2,3-difluorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propylpropan-1-amine
CID 70242607
3-[4-(2-bromocyclopropyl)phenyl]-N-methyl-N-(2-phenylethyl)propan-1-amine
CID 70243904
3-[4-(2,3-dibromocyclobutyl)phenyl]-N-methyl-N-(2-phenylethyl)propan-1-amine
CID 70238596
3-[4-(2-fluorocyclopropyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylpropan-1-amine
CID 70241891
3-[4-(2,6-dibromocyclohexyl)phenyl]-N-methyl-N-(2-phenylethyl)propan-1-amine
CID 70242715
N-benzyl-4-[4-(2,3-difluorocyclobutyl)phenyl]-N-propylbutan-2-amine
CID 70238656
acetonitrile;N-benzyl-3-[4-(2-fluorocyclohexyl)phenyl]-N-methylpropan-1-amine
CID 70243217
acetonitrile;N-benzyl-4-[4-(2,3-difluorocyclobutyl)phenyl]-N-methylbutan-2-amine
CID 70241157
N-ethyl-3-[4-(2-fluorocyclohexyl)phenyl]-N-(2-phenylethyl)propan-1-amine
CID 70241559
N-benzyl-1-[4-(2,3-difluorocyclobutyl)phenyl]-N-propan-2-ylpentan-3-amine
CID 70241311

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,3-difluorocyclobutyl)phenyl]-N-methyl-N-(2-phenylethyl)propan-1-amine?
The IUPAC name of 3-[4-(2,3-difluorocyclobutyl)phenyl]-N-methyl-N-(2-phenylethyl)propan-1-amine (CID 70243832) is 3-[4-(2,3-difluorocyclobutyl)phenyl]-N-methyl-N-(2-phenylethyl)propan-1-amine.
What is the SMILES notation for 3-[4-(2,3-difluorocyclobutyl)phenyl]-N-methyl-N-(2-phenylethyl)propan-1-amine?
The canonical SMILES for 3-[4-(2,3-difluorocyclobutyl)phenyl]-N-methyl-N-(2-phenylethyl)propan-1-amine is CN(CCCc1ccc(C2CC(F)C2F)cc1)CCc1ccccc1.
What is the InChIKey of 3-[4-(2,3-difluorocyclobutyl)phenyl]-N-methyl-N-(2-phenylethyl)propan-1-amine?
The InChIKey is PBLXPQVZEDUFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F2N/c1-25(15-13-17-6-3-2-4-7-17)14-5-8-18-9-11-19(12-10-18)20-16-21(23)22(20)24/h2-4,6-7,9-12,20-22H,5,8,13-16H2,1H3.
What are the key properties of 3-[4-(2,3-difluorocyclobutyl)phenyl]-N-methyl-N-(2-phenylethyl)propan-1-amine?
3-[4-(2,3-difluorocyclobutyl)phenyl]-N-methyl-N-(2-phenylethyl)propan-1-amine has a molecular weight of 343.46 g/mol, XLogP of 4.96, 8 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-methyl-N-(2-phenylethyl)propan-1-amine is sourced from PubChem (CID 70243832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).