N-benzyl-4-[4-(2,3-difluorocyclobutyl)phenyl]-N-propylbutan-2-amine

C24H31F2N — CID 70238656

IUPACN-benzyl-4-[4-(2,3-difluorocyclobutyl)phenyl]-N-propylbutan-2-amine
SMILESCCCN(Cc1ccccc1)C(C)CCc1ccc(C2CC(F)C2F)cc1
InChIInChI=1S/C24H31F2N/c1-3-15-27(17-20-7-5-4-6-8-20)18(2)9-10-19-11-13-21(14-12-19)22-16-23(25)24(22)26/h4-8,11-14,18,22-24H,3,9-10,15-17H2,1-2H3
InChIKeyWLRITKMTDSJTCM-UHFFFAOYSA-N
MW371.52 g/mol
LogP6.08
Rot. Bonds9

About N-benzyl-4-[4-(2,3-difluorocyclobutyl)phenyl]-N-propylbutan-2-amine

N-benzyl-4-[4-(2,3-difluorocyclobutyl)phenyl]-N-propylbutan-2-amine (PubChem CID 70238656) has the molecular formula C24H31F2N and a molecular weight of 371.52 g/mol. Its IUPAC name is N-benzyl-4-[4-(2,3-difluorocyclobutyl)phenyl]-N-propylbutan-2-amine.

Molecular Properties

Compound NameN-benzyl-4-[4-(2,3-difluorocyclobutyl)phenyl]-N-propylbutan-2-amine
PubChem CID70238656
Molecular FormulaC24H31F2N
Molecular Weight371.52 g/mol
Exact Mass371.24
IUPAC NameN-benzyl-4-[4-(2,3-difluorocyclobutyl)phenyl]-N-propylbutan-2-amine
SMILESCCCN(Cc1ccccc1)C(C)CCc1ccc(C2CC(F)C2F)cc1
InChIInChI=1S/C24H31F2N/c1-3-15-27(17-20-7-5-4-6-8-20)18(2)9-10-19-11-13-21(14-12-19)22-16-23(25)24(22)26/h4-8,11-14,18,22-24H,3,9-10,15-17H2,1-2H3
InChIKeyWLRITKMTDSJTCM-UHFFFAOYSA-N
XLogP6.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.52
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-4-[4-(2-fluorocyclohexyl)phenyl]-N-propylbutan-2-amine
CID 70243837
acetonitrile;N-benzyl-4-[4-(3,4-difluorocyclopentyl)phenyl]-N-propylbutan-2-amine
CID 70243040
N-benzyl-4-[4-(3-fluorocyclopentyl)phenyl]-N-propylbutan-2-amine
CID 70242088
acetonitrile;N-benzyl-4-[4-(2,3-difluorocyclobutyl)phenyl]-N-methylbutan-2-amine
CID 70241157
N-benzyl-1-[4-(2,3-difluorocyclobutyl)phenyl]-N-propan-2-ylpentan-3-amine
CID 70241311
3-[4-(2,3-difluorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propylpropan-1-amine
CID 70242607
acetonitrile;N-(2-phenylethyl)-N-propyl-4-[4-[2-(trifluoromethyl)cyclopropyl]phenyl]butan-2-amine
CID 70243107
acetonitrile;N-benzyl-1-[4-(2-fluorocyclohexyl)phenyl]-N-propylpentan-3-amine
CID 70243681
3-[4-(2,3-difluorocyclobutyl)phenyl]-N-methyl-N-(2-phenylethyl)propan-1-amine
CID 70243832
acetonitrile;N-benzyl-4-[4-(2-fluorocyclopropyl)phenyl]-N-propan-2-ylbutan-2-amine
CID 70243066
acetonitrile;N-benzyl-3-[4-(2,3-difluorocyclobutyl)phenyl]-N-methylpropan-1-amine
CID 70243158
acetonitrile;N-benzyl-4-[4-(1-fluorocyclopropyl)phenyl]-N-propylbutan-2-amine
CID 70243718

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[4-(2,3-difluorocyclobutyl)phenyl]-N-propylbutan-2-amine?
The IUPAC name of N-benzyl-4-[4-(2,3-difluorocyclobutyl)phenyl]-N-propylbutan-2-amine (CID 70238656) is N-benzyl-4-[4-(2,3-difluorocyclobutyl)phenyl]-N-propylbutan-2-amine.
What is the SMILES notation for N-benzyl-4-[4-(2,3-difluorocyclobutyl)phenyl]-N-propylbutan-2-amine?
The canonical SMILES for N-benzyl-4-[4-(2,3-difluorocyclobutyl)phenyl]-N-propylbutan-2-amine is CCCN(Cc1ccccc1)C(C)CCc1ccc(C2CC(F)C2F)cc1.
What is the InChIKey of N-benzyl-4-[4-(2,3-difluorocyclobutyl)phenyl]-N-propylbutan-2-amine?
The InChIKey is WLRITKMTDSJTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F2N/c1-3-15-27(17-20-7-5-4-6-8-20)18(2)9-10-19-11-13-21(14-12-19)22-16-23(25)24(22)26/h4-8,11-14,18,22-24H,3,9-10,15-17H2,1-2H3.
What are the key properties of N-benzyl-4-[4-(2,3-difluorocyclobutyl)phenyl]-N-propylbutan-2-amine?
N-benzyl-4-[4-(2,3-difluorocyclobutyl)phenyl]-N-propylbutan-2-amine has a molecular weight of 371.52 g/mol, XLogP of 6.08, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[4-(2,3-difluorocyclobutyl)phenyl]-N-propylbutan-2-amine is sourced from PubChem (CID 70238656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).