N-[(1R)-1-(3-fluorophenyl)ethyl]-1-phenylbutan-1-amine

C18H22FN — CID 81369195

IUPACN-[(1R)-1-(3-fluorophenyl)ethyl]-1-phenylbutan-1-amine
SMILESCCCC(N[C@H](C)c1cccc(F)c1)c1ccccc1
InChIInChI=1S/C18H22FN/c1-3-8-18(15-9-5-4-6-10-15)20-14(2)16-11-7-12-17(19)13-16/h4-7,9-14,18,20H,3,8H2,1-2H3/t14-,18?/m1/s1
InChIKeyLODGELSSKSCRKJ-IKJXHCRLSA-N
MW271.38 g/mol
LogP5.02
Rot. Bonds6

About N-[(1R)-1-(3-fluorophenyl)ethyl]-1-phenylbutan-1-amine

N-[(1R)-1-(3-fluorophenyl)ethyl]-1-phenylbutan-1-amine (PubChem CID 81369195) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is N-[(1R)-1-(3-fluorophenyl)ethyl]-1-phenylbutan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(3-fluorophenyl)ethyl]-1-phenylbutan-1-amine
PubChem CID81369195
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC NameN-[(1R)-1-(3-fluorophenyl)ethyl]-1-phenylbutan-1-amine
SMILESCCCC(N[C@H](C)c1cccc(F)c1)c1ccccc1
InChIInChI=1S/C18H22FN/c1-3-8-18(15-9-5-4-6-10-15)20-14(2)16-11-7-12-17(19)13-16/h4-7,9-14,18,20H,3,8H2,1-2H3/t14-,18?/m1/s1
InChIKeyLODGELSSKSCRKJ-IKJXHCRLSA-N
XLogP5.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.38
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3-methoxyphenyl)ethyl]-1-phenylbutan-1-amine
CID 43720331
N-[(1S)-1-(3-fluorophenyl)ethyl]-1-(4-methylphenyl)propan-1-amine
CID 81364729
2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]pentanoic acid
CID 83041436
4-[1-[1-(3-fluorophenyl)ethylamino]propyl]phenol
CID 43205938
1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]butan-1-amine
CID 81406430
1-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]butan-1-amine
CID 81351382
N-[(1S)-1-(4-bromophenyl)ethyl]-1-phenylbutan-1-amine
CID 81359932
1-phenyl-N-propan-2-ylbutan-1-amine
CID 43177244
1-(3-chlorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]propan-1-amine
CID 81365780
N-[(1S)-1-(2-chlorophenyl)ethyl]-1-phenylbutan-1-amine
CID 81377753
3-[1-(1-phenylpentylamino)ethyl]phenol
CID 43791599
N-[(1S)-1-(3-chlorophenyl)ethyl]-1-phenylpentan-1-amine
CID 81361767

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-fluorophenyl)ethyl]-1-phenylbutan-1-amine?
The IUPAC name of N-[(1R)-1-(3-fluorophenyl)ethyl]-1-phenylbutan-1-amine (CID 81369195) is N-[(1R)-1-(3-fluorophenyl)ethyl]-1-phenylbutan-1-amine.
What is the SMILES notation for N-[(1R)-1-(3-fluorophenyl)ethyl]-1-phenylbutan-1-amine?
The canonical SMILES for N-[(1R)-1-(3-fluorophenyl)ethyl]-1-phenylbutan-1-amine is CCCC(N[C@H](C)c1cccc(F)c1)c1ccccc1.
What is the InChIKey of N-[(1R)-1-(3-fluorophenyl)ethyl]-1-phenylbutan-1-amine?
The InChIKey is LODGELSSKSCRKJ-IKJXHCRLSA-N. The full InChI is InChI=1S/C18H22FN/c1-3-8-18(15-9-5-4-6-10-15)20-14(2)16-11-7-12-17(19)13-16/h4-7,9-14,18,20H,3,8H2,1-2H3/t14-,18?/m1/s1.
What are the key properties of N-[(1R)-1-(3-fluorophenyl)ethyl]-1-phenylbutan-1-amine?
N-[(1R)-1-(3-fluorophenyl)ethyl]-1-phenylbutan-1-amine has a molecular weight of 271.38 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-fluorophenyl)ethyl]-1-phenylbutan-1-amine is sourced from PubChem (CID 81369195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).