N-[1-(4-fluorophenyl)propyl]-3,3-dimethylbutan-2-amine

C15H24FN — CID 104827878

IUPACN-[1-(4-fluorophenyl)propyl]-3,3-dimethylbutan-2-amine
SMILESCCC(NC(C)C(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C15H24FN/c1-6-14(17-11(2)15(3,4)5)12-7-9-13(16)10-8-12/h7-11,14,17H,6H2,1-5H3
InChIKeyGFZHMRIUPAIDIG-UHFFFAOYSA-N
MW237.36 g/mol
LogP4.30
Rot. Bonds4

About N-[1-(4-fluorophenyl)propyl]-3,3-dimethylbutan-2-amine

N-[1-(4-fluorophenyl)propyl]-3,3-dimethylbutan-2-amine (PubChem CID 104827878) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)propyl]-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)propyl]-3,3-dimethylbutan-2-amine
PubChem CID104827878
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC NameN-[1-(4-fluorophenyl)propyl]-3,3-dimethylbutan-2-amine
SMILESCCC(NC(C)C(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C15H24FN/c1-6-14(17-11(2)15(3,4)5)12-7-9-13(16)10-8-12/h7-11,14,17H,6H2,1-5H3
InChIKeyGFZHMRIUPAIDIG-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-bromophenyl)propyl]-3,3-dimethylbutan-2-amine
CID 113457747
1-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-1-amine
CID 43096584
(2R)-2-[[(1S)-1-(4-fluorophenyl)propyl]amino]propan-1-ol
CID 93082731
N-[1-(4-fluorophenyl)propyl]-3-methylpentan-2-amine
CID 54949998
1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]propan-1-amine
CID 60946165
tert-butyl N-[2-[1-(4-fluorophenyl)propylamino]propyl]carbamate
CID 107248141
4-[1-[1-(4-fluorophenyl)propan-2-ylamino]propyl]phenol
CID 63008181
N-[1-(4-fluorophenyl)propyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 43723054
1-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine
CID 81405940
1-(4-fluorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 81405768
N-[1-(4-fluorophenyl)propyl]-2-methylbut-3-yn-2-amine
CID 63999954
1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 43185194

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)propyl]-3,3-dimethylbutan-2-amine?
The IUPAC name of N-[1-(4-fluorophenyl)propyl]-3,3-dimethylbutan-2-amine (CID 104827878) is N-[1-(4-fluorophenyl)propyl]-3,3-dimethylbutan-2-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)propyl]-3,3-dimethylbutan-2-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)propyl]-3,3-dimethylbutan-2-amine is CCC(NC(C)C(C)(C)C)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)propyl]-3,3-dimethylbutan-2-amine?
The InChIKey is GFZHMRIUPAIDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN/c1-6-14(17-11(2)15(3,4)5)12-7-9-13(16)10-8-12/h7-11,14,17H,6H2,1-5H3.
What are the key properties of N-[1-(4-fluorophenyl)propyl]-3,3-dimethylbutan-2-amine?
N-[1-(4-fluorophenyl)propyl]-3,3-dimethylbutan-2-amine has a molecular weight of 237.36 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)propyl]-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 104827878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).