1-(4-fluorophenyl)-N-propan-2-ylpentan-1-amine

C14H22FN — CID 43111233

IUPAC1-(4-fluorophenyl)-N-propan-2-ylpentan-1-amine
SMILESCCCCC(NC(C)C)c1ccc(F)cc1
InChIInChI=1S/C14H22FN/c1-4-5-6-14(16-11(2)3)12-7-9-13(15)10-8-12/h7-11,14,16H,4-6H2,1-3H3
InChIKeyJVELZTKIYRUCFI-UHFFFAOYSA-N
MW223.34 g/mol
LogP4.05
Rot. Bonds6

About 1-(4-fluorophenyl)-N-propan-2-ylpentan-1-amine

1-(4-fluorophenyl)-N-propan-2-ylpentan-1-amine (PubChem CID 43111233) has the molecular formula C14H22FN and a molecular weight of 223.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-propan-2-ylpentan-1-amine
PubChem CID43111233
Molecular FormulaC14H22FN
Molecular Weight223.34 g/mol
Exact Mass223.17
IUPAC Name1-(4-fluorophenyl)-N-propan-2-ylpentan-1-amine
SMILESCCCCC(NC(C)C)c1ccc(F)cc1
InChIInChI=1S/C14H22FN/c1-4-5-6-14(16-11(2)3)12-7-9-13(15)10-8-12/h7-11,14,16H,4-6H2,1-3H3
InChIKeyJVELZTKIYRUCFI-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-fluorophenyl)pentyl]-6-methylheptan-2-amine
CID 43100534
1-(3,5-difluorophenyl)-N-propan-2-ylpentan-1-amine
CID 79411536
2-N-[1-(4-fluorophenyl)pentyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945108
1-(4-fluorophenyl)pentylhydrazine
CID 53402329
1-N,1-N-diethyl-2-N-[1-(4-fluorophenyl)pentyl]propane-1,2-diamine
CID 63478291
4-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43107477
N-[1-(4-fluorophenyl)pentyl]hex-1-yn-3-amine
CID 106226041
1-(4-fluorophenyl)-N-methoxypentan-1-amine
CID 82706495
1-(4-fluorophenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pentan-1-amine
CID 106281715
3,5-difluoro-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43105701
1-(4-fluorophenyl)undecylhydrazine
CID 105192861
3-[1-(4-fluorophenyl)pentylamino]-2-methylpropanenitrile
CID 62647610

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-propan-2-ylpentan-1-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-propan-2-ylpentan-1-amine (CID 43111233) is 1-(4-fluorophenyl)-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-propan-2-ylpentan-1-amine is CCCCC(NC(C)C)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-propan-2-ylpentan-1-amine?
The InChIKey is JVELZTKIYRUCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-4-5-6-14(16-11(2)3)12-7-9-13(15)10-8-12/h7-11,14,16H,4-6H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-N-propan-2-ylpentan-1-amine?
1-(4-fluorophenyl)-N-propan-2-ylpentan-1-amine has a molecular weight of 223.34 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 43111233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).