N-[(4-butylphenyl)-(4-fluorophenyl)methyl]ethanamine

C19H24FN — CID 43491214

IUPACN-[(4-butylphenyl)-(4-fluorophenyl)methyl]ethanamine
SMILESCCCCc1ccc(C(NCC)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H24FN/c1-3-5-6-15-7-9-16(10-8-15)19(21-4-2)17-11-13-18(20)14-12-17/h7-14,19,21H,3-6H2,1-2H3
InChIKeyOPKRRAPBKRLMRI-UHFFFAOYSA-N
MW285.41 g/mol
LogP4.87
Rot. Bonds7

About N-[(4-butylphenyl)-(4-fluorophenyl)methyl]ethanamine

N-[(4-butylphenyl)-(4-fluorophenyl)methyl]ethanamine (PubChem CID 43491214) has the molecular formula C19H24FN and a molecular weight of 285.41 g/mol. Its IUPAC name is N-[(4-butylphenyl)-(4-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-butylphenyl)-(4-fluorophenyl)methyl]ethanamine
PubChem CID43491214
Molecular FormulaC19H24FN
Molecular Weight285.41 g/mol
Exact Mass285.19
IUPAC NameN-[(4-butylphenyl)-(4-fluorophenyl)methyl]ethanamine
SMILESCCCCc1ccc(C(NCC)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H24FN/c1-3-5-6-15-7-9-16(10-8-15)19(21-4-2)17-11-13-18(20)14-12-17/h7-14,19,21H,3-6H2,1-2H3
InChIKeyOPKRRAPBKRLMRI-UHFFFAOYSA-N
XLogP4.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-butylphenyl)-pyridin-4-ylmethyl]ethanamine
CID 43491200
1-(4-butylphenyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 43484353
N-[(4-butylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine
CID 79094480
1-(4-butylphenyl)-N-ethyl-2-methylpropan-1-amine
CID 43393753
N-[(4-ethylsulfanylphenyl)-(4-fluorophenyl)methyl]ethanamine
CID 106849127
N-[bis(4-fluorophenyl)methyl]propan-1-amine
CID 43389379
N-[bis(4-ethylphenyl)methyl]ethanamine
CID 43491437
1-fluoro-4-propylbenzene
CID 2737505
1-(2-bromo-4-fluorophenyl)-1-(4-butylphenyl)-N-methylmethanamine
CID 43484374
N-[(5-bromo-4-methylthiophen-2-yl)-(4-butylphenyl)methyl]ethanamine
CID 79977205
N-[(4-fluorophenyl)-(4-methylsulfonylphenyl)methyl]ethanamine
CID 43488878
3-(4-butylanilino)-1-(4-fluorophenyl)propan-1-ol
CID 19892138

Frequently Asked Questions

What is the IUPAC name of N-[(4-butylphenyl)-(4-fluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(4-butylphenyl)-(4-fluorophenyl)methyl]ethanamine (CID 43491214) is N-[(4-butylphenyl)-(4-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-butylphenyl)-(4-fluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-butylphenyl)-(4-fluorophenyl)methyl]ethanamine is CCCCc1ccc(C(NCC)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[(4-butylphenyl)-(4-fluorophenyl)methyl]ethanamine?
The InChIKey is OPKRRAPBKRLMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN/c1-3-5-6-15-7-9-16(10-8-15)19(21-4-2)17-11-13-18(20)14-12-17/h7-14,19,21H,3-6H2,1-2H3.
What are the key properties of N-[(4-butylphenyl)-(4-fluorophenyl)methyl]ethanamine?
N-[(4-butylphenyl)-(4-fluorophenyl)methyl]ethanamine has a molecular weight of 285.41 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butylphenyl)-(4-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 43491214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).