1-[4-(2-fluorocyclopropyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylpentan-3-amine

C25H34FN — CID 70241618

IUPAC1-[4-(2-fluorocyclopropyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylpentan-3-amine
SMILESCCC(CCc1ccc(C2CC2F)cc1)N(CCc1ccccc1)C(C)C
InChIInChI=1S/C25H34FN/c1-4-23(27(19(2)3)17-16-20-8-6-5-7-9-20)15-12-21-10-13-22(14-11-21)24-18-25(24)26/h5-11,13-14,19,23-25H,4,12,15-18H2,1-3H3
InChIKeyPZBKZCICPTWUPY-UHFFFAOYSA-N
MW367.55 g/mol
LogP6.18
Rot. Bonds10

About 1-[4-(2-fluorocyclopropyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylpentan-3-amine

1-[4-(2-fluorocyclopropyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylpentan-3-amine (PubChem CID 70241618) has the molecular formula C25H34FN and a molecular weight of 367.55 g/mol. Its IUPAC name is 1-[4-(2-fluorocyclopropyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylpentan-3-amine.

Molecular Properties

Compound Name1-[4-(2-fluorocyclopropyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylpentan-3-amine
PubChem CID70241618
Molecular FormulaC25H34FN
Molecular Weight367.55 g/mol
Exact Mass367.27
IUPAC Name1-[4-(2-fluorocyclopropyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylpentan-3-amine
SMILESCCC(CCc1ccc(C2CC2F)cc1)N(CCc1ccccc1)C(C)C
InChIInChI=1S/C25H34FN/c1-4-23(27(19(2)3)17-16-20-8-6-5-7-9-20)15-12-21-10-13-22(14-11-21)24-18-25(24)26/h5-11,13-14,19,23-25H,4,12,15-18H2,1-3H3
InChIKeyPZBKZCICPTWUPY-UHFFFAOYSA-N
XLogP6.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.55
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(3,4-difluorocyclopentyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylpentan-3-amine
CID 70242599
acetonitrile;1-[4-(3,4-difluorocyclopentyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylpentan-3-amine
CID 70242598
N-benzyl-1-[4-(2,3-difluorocyclobutyl)phenyl]-N-propan-2-ylpentan-3-amine
CID 70241311
N-(2-phenylethyl)-N-propan-2-yl-1-[4-[2-(trifluoromethyl)cyclopentyl]phenyl]pentan-3-amine
CID 70244106
N-benzyl-1-[4-(2-fluorocyclobutyl)phenyl]-N-propan-2-ylpentan-3-amine
CID 70241233
N-(2-phenylethyl)-N-propan-2-yl-1-[4-[3-(trifluoromethyl)cyclopentyl]phenyl]pentan-3-amine
CID 70242993
acetonitrile;N-benzyl-4-[4-(2-fluorocyclopropyl)phenyl]-N-propan-2-ylbutan-2-amine
CID 70243066
3-[4-(2-fluorocyclopropyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylpropan-1-amine
CID 70241891
4-[4-(2-chlorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylbutan-2-amine
CID 70238912
1-[4-(2-chlorocyclopropyl)phenyl]-N-ethyl-N-(2-phenylethyl)pentan-3-amine
CID 70242485
N-(2-phenylethyl)-N-propan-2-yl-4-[4-[2-(trifluoromethyl)cyclopentyl]phenyl]butan-2-amine
CID 70241839
1-[4-(3,4-difluorocyclohexyl)phenyl]-N-methyl-N-(2-phenylethyl)pentan-3-amine
CID 70243728

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorocyclopropyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylpentan-3-amine?
The IUPAC name of 1-[4-(2-fluorocyclopropyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylpentan-3-amine (CID 70241618) is 1-[4-(2-fluorocyclopropyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylpentan-3-amine.
What is the SMILES notation for 1-[4-(2-fluorocyclopropyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylpentan-3-amine?
The canonical SMILES for 1-[4-(2-fluorocyclopropyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylpentan-3-amine is CCC(CCc1ccc(C2CC2F)cc1)N(CCc1ccccc1)C(C)C.
What is the InChIKey of 1-[4-(2-fluorocyclopropyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylpentan-3-amine?
The InChIKey is PZBKZCICPTWUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34FN/c1-4-23(27(19(2)3)17-16-20-8-6-5-7-9-20)15-12-21-10-13-22(14-11-21)24-18-25(24)26/h5-11,13-14,19,23-25H,4,12,15-18H2,1-3H3.
What are the key properties of 1-[4-(2-fluorocyclopropyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylpentan-3-amine?
1-[4-(2-fluorocyclopropyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylpentan-3-amine has a molecular weight of 367.55 g/mol, XLogP of 6.18, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorocyclopropyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylpentan-3-amine is sourced from PubChem (CID 70241618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).