N-[2-(2-fluorophenyl)ethyl]-1-phenylbutan-1-amine

C18H22FN — CID 43108094

IUPACN-[2-(2-fluorophenyl)ethyl]-1-phenylbutan-1-amine
SMILESCCCC(NCCc1ccccc1F)c1ccccc1
InChIInChI=1S/C18H22FN/c1-2-8-18(16-10-4-3-5-11-16)20-14-13-15-9-6-7-12-17(15)19/h3-7,9-12,18,20H,2,8,13-14H2,1H3
InChIKeyKCPPALGDDNMWDW-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.50
Rot. Bonds7

About N-[2-(2-fluorophenyl)ethyl]-1-phenylbutan-1-amine

N-[2-(2-fluorophenyl)ethyl]-1-phenylbutan-1-amine (PubChem CID 43108094) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-1-phenylbutan-1-amine.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-1-phenylbutan-1-amine
PubChem CID43108094
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-1-phenylbutan-1-amine
SMILESCCCC(NCCc1ccccc1F)c1ccccc1
InChIInChI=1S/C18H22FN/c1-2-8-18(16-10-4-3-5-11-16)20-14-13-15-9-6-7-12-17(15)19/h3-7,9-12,18,20H,2,8,13-14H2,1H3
InChIKeyKCPPALGDDNMWDW-UHFFFAOYSA-N
XLogP4.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-fluorophenyl)methyl]-1-phenylbutan-1-amine
CID 17156263
2-[2-(2-fluorophenyl)ethylamino]-2-phenylethanol
CID 110012007
N-ethyl-3-(2-fluorophenyl)-1-phenylpropan-1-amine
CID 54891295
N-(3,3-diphenylpropyl)-1-phenylbutan-1-amine
CID 20642754
2,6-difluoro-N-(1-phenylbutyl)aniline
CID 43123906
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine
CID 17155781
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17155780
3-(3,4-difluorophenyl)-1-phenyl-N-propylpropan-1-amine
CID 64501624
1-phenyl-N-(3-phenylpropyl)butan-1-amine;hydrochloride
CID 3027694
N-[(2,4-difluorophenyl)methyl]-1-phenylbutan-1-amine
CID 43222007
N-[2-(3-methylphenyl)ethyl]-1-phenylbutan-1-amine
CID 63477461
1-(3,4-dichlorophenyl)-N-[2-(2-fluorophenyl)ethyl]propan-1-amine
CID 43760641

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-1-phenylbutan-1-amine?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-1-phenylbutan-1-amine (CID 43108094) is N-[2-(2-fluorophenyl)ethyl]-1-phenylbutan-1-amine.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-1-phenylbutan-1-amine?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-1-phenylbutan-1-amine is CCCC(NCCc1ccccc1F)c1ccccc1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-1-phenylbutan-1-amine?
The InChIKey is KCPPALGDDNMWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-2-8-18(16-10-4-3-5-11-16)20-14-13-15-9-6-7-12-17(15)19/h3-7,9-12,18,20H,2,8,13-14H2,1H3.
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-1-phenylbutan-1-amine?
N-[2-(2-fluorophenyl)ethyl]-1-phenylbutan-1-amine has a molecular weight of 271.38 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-1-phenylbutan-1-amine is sourced from PubChem (CID 43108094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).