N-ethyl-4-[4-(1-fluorocyclopropyl)phenyl]-N-(2-phenylethyl)butan-2-amine

C23H30FN — CID 70241422

IUPACN-ethyl-4-[4-(1-fluorocyclopropyl)phenyl]-N-(2-phenylethyl)butan-2-amine
SMILESCCN(CCc1ccccc1)C(C)CCc1ccc(C2(F)CC2)cc1
InChIInChI=1S/C23H30FN/c1-3-25(18-15-20-7-5-4-6-8-20)19(2)9-10-21-11-13-22(14-12-21)23(24)16-17-23/h4-8,11-14,19H,3,9-10,15-18H2,1-2H3
InChIKeyZDDRXWJTKDDCND-UHFFFAOYSA-N
MW339.50 g/mol
LogP5.53
Rot. Bonds9

About N-ethyl-4-[4-(1-fluorocyclopropyl)phenyl]-N-(2-phenylethyl)butan-2-amine

N-ethyl-4-[4-(1-fluorocyclopropyl)phenyl]-N-(2-phenylethyl)butan-2-amine (PubChem CID 70241422) has the molecular formula C23H30FN and a molecular weight of 339.50 g/mol. Its IUPAC name is N-ethyl-4-[4-(1-fluorocyclopropyl)phenyl]-N-(2-phenylethyl)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-[4-(1-fluorocyclopropyl)phenyl]-N-(2-phenylethyl)butan-2-amine
PubChem CID70241422
Molecular FormulaC23H30FN
Molecular Weight339.50 g/mol
Exact Mass339.24
IUPAC NameN-ethyl-4-[4-(1-fluorocyclopropyl)phenyl]-N-(2-phenylethyl)butan-2-amine
SMILESCCN(CCc1ccccc1)C(C)CCc1ccc(C2(F)CC2)cc1
InChIInChI=1S/C23H30FN/c1-3-25(18-15-20-7-5-4-6-8-20)19(2)9-10-21-11-13-22(14-12-21)23(24)16-17-23/h4-8,11-14,19H,3,9-10,15-18H2,1-2H3
InChIKeyZDDRXWJTKDDCND-UHFFFAOYSA-N
XLogP5.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.50
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

acetonitrile;N-benzyl-4-[4-(1-fluorocyclopropyl)phenyl]-N-propylbutan-2-amine
CID 70243718
N,N-diethyl-4-phenylbutan-2-amine
CID 567866
3-N-ethyl-3-N-(2-phenylethyl)butane-1,3-diamine
CID 54855366
N-benzyl-4-[3,4-bis(1-fluorocyclopropyl)phenyl]-N-propylbutan-2-amine
CID 70238723
acetonitrile;4-[4-(2,3-dichlorocyclobutyl)phenyl]-N-ethyl-N-(2-phenylethyl)butan-2-amine
CID 70238788
N-(2-phenylethyl)-N-propyl-4-[4-[4-(trifluoromethyl)cyclohexyl]phenyl]butan-2-amine
CID 70243226
N-methyl-4-phenyl-N-(2-phenylethyl)butan-2-amine;hydrochloride
CID 158803245
N',N'-diethyl-N-methyl-N-(4-phenylbutan-2-yl)ethane-1,2-diamine
CID 2846550
N-ethyl-4-phenyl-N-(piperidin-3-ylmethyl)butan-2-amine
CID 106624545
1-[4-(2-chlorocyclopropyl)phenyl]-N-ethyl-N-(2-phenylethyl)pentan-3-amine
CID 70242485
acetonitrile;N-(2-phenylethyl)-N-propyl-4-[4-[2-(trifluoromethyl)cyclopropyl]phenyl]butan-2-amine
CID 70243107
N-methyl-4-phenyl-N-propylbutan-2-amine
CID 90881559

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[4-(1-fluorocyclopropyl)phenyl]-N-(2-phenylethyl)butan-2-amine?
The IUPAC name of N-ethyl-4-[4-(1-fluorocyclopropyl)phenyl]-N-(2-phenylethyl)butan-2-amine (CID 70241422) is N-ethyl-4-[4-(1-fluorocyclopropyl)phenyl]-N-(2-phenylethyl)butan-2-amine.
What is the SMILES notation for N-ethyl-4-[4-(1-fluorocyclopropyl)phenyl]-N-(2-phenylethyl)butan-2-amine?
The canonical SMILES for N-ethyl-4-[4-(1-fluorocyclopropyl)phenyl]-N-(2-phenylethyl)butan-2-amine is CCN(CCc1ccccc1)C(C)CCc1ccc(C2(F)CC2)cc1.
What is the InChIKey of N-ethyl-4-[4-(1-fluorocyclopropyl)phenyl]-N-(2-phenylethyl)butan-2-amine?
The InChIKey is ZDDRXWJTKDDCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN/c1-3-25(18-15-20-7-5-4-6-8-20)19(2)9-10-21-11-13-22(14-12-21)23(24)16-17-23/h4-8,11-14,19H,3,9-10,15-18H2,1-2H3.
What are the key properties of N-ethyl-4-[4-(1-fluorocyclopropyl)phenyl]-N-(2-phenylethyl)butan-2-amine?
N-ethyl-4-[4-(1-fluorocyclopropyl)phenyl]-N-(2-phenylethyl)butan-2-amine has a molecular weight of 339.50 g/mol, XLogP of 5.53, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[4-(1-fluorocyclopropyl)phenyl]-N-(2-phenylethyl)butan-2-amine is sourced from PubChem (CID 70241422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).