N-[1-(4-fluorophenyl)propan-2-yl]-1-phenylbutan-1-amine

C19H24FN — CID 63462583

IUPACN-[1-(4-fluorophenyl)propan-2-yl]-1-phenylbutan-1-amine
SMILESCCCC(NC(C)Cc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C19H24FN/c1-3-7-19(17-8-5-4-6-9-17)21-15(2)14-16-10-12-18(20)13-11-16/h4-6,8-13,15,19,21H,3,7,14H2,1-2H3
InChIKeyQYXCYTYWJNHBRA-UHFFFAOYSA-N
MW285.41 g/mol
LogP4.89
Rot. Bonds7

About N-[1-(4-fluorophenyl)propan-2-yl]-1-phenylbutan-1-amine

N-[1-(4-fluorophenyl)propan-2-yl]-1-phenylbutan-1-amine (PubChem CID 63462583) has the molecular formula C19H24FN and a molecular weight of 285.41 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)propan-2-yl]-1-phenylbutan-1-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)propan-2-yl]-1-phenylbutan-1-amine
PubChem CID63462583
Molecular FormulaC19H24FN
Molecular Weight285.41 g/mol
Exact Mass285.19
IUPAC NameN-[1-(4-fluorophenyl)propan-2-yl]-1-phenylbutan-1-amine
SMILESCCCC(NC(C)Cc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C19H24FN/c1-3-7-19(17-8-5-4-6-9-17)21-15(2)14-16-10-12-18(20)13-11-16/h4-6,8-13,15,19,21H,3,7,14H2,1-2H3
InChIKeyQYXCYTYWJNHBRA-UHFFFAOYSA-N
XLogP4.89
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 ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-(4-fluorophenyl)propan-2-ylamino]-2-phenylethanol
CID 115720367
4-[1-[1-(4-fluorophenyl)propan-2-ylamino]propyl]phenol
CID 63008181
1-phenyl-N-propan-2-ylbutan-1-amine
CID 43177244
2-[1-(4-fluorophenyl)propan-2-ylamino]pentanoic acid
CID 83041949
N-[(1R)-1-(3-fluorophenyl)ethyl]-1-phenylbutan-1-amine
CID 81369195
(2S)-2-phenyl-2-(1-phenylpropan-2-ylamino)ethanol
CID 107862161
N-(1,1-difluoropropan-2-yl)-1-phenylbutan-1-amine
CID 102868679
4-(1-phenylbutylamino)pentanal
CID 174525536
N-[1-(4-fluorophenyl)propan-2-yl]-1-methoxypentan-2-amine
CID 114829888
(2R)-2-[1-(4-bromophenyl)propan-2-ylamino]-2-phenylethanol
CID 103522284
(2R)-2-[1-(3-fluorophenyl)propan-2-ylamino]-2-phenylethanol
CID 103788672
4-fluoro-N-(1-phenylbutyl)benzamide
CID 60657146

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)propan-2-yl]-1-phenylbutan-1-amine?
The IUPAC name of N-[1-(4-fluorophenyl)propan-2-yl]-1-phenylbutan-1-amine (CID 63462583) is N-[1-(4-fluorophenyl)propan-2-yl]-1-phenylbutan-1-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)propan-2-yl]-1-phenylbutan-1-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)propan-2-yl]-1-phenylbutan-1-amine is CCCC(NC(C)Cc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of N-[1-(4-fluorophenyl)propan-2-yl]-1-phenylbutan-1-amine?
The InChIKey is QYXCYTYWJNHBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN/c1-3-7-19(17-8-5-4-6-9-17)21-15(2)14-16-10-12-18(20)13-11-16/h4-6,8-13,15,19,21H,3,7,14H2,1-2H3.
What are the key properties of N-[1-(4-fluorophenyl)propan-2-yl]-1-phenylbutan-1-amine?
N-[1-(4-fluorophenyl)propan-2-yl]-1-phenylbutan-1-amine has a molecular weight of 285.41 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)propan-2-yl]-1-phenylbutan-1-amine is sourced from PubChem (CID 63462583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).