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

C15H24FN — CID 83155525

IUPACN-[1-(4-fluorophenyl)propan-2-yl]-4-methylpentan-1-amine
SMILESCC(C)CCCNC(C)Cc1ccc(F)cc1
InChIInChI=1S/C15H24FN/c1-12(2)5-4-10-17-13(3)11-14-6-8-15(16)9-7-14/h6-9,12-13,17H,4-5,10-11H2,1-3H3
InChIKeyPEZSZRQLIHJSDM-UHFFFAOYSA-N
MW237.36 g/mol
LogP3.78
Rot. Bonds7

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

N-[1-(4-fluorophenyl)propan-2-yl]-4-methylpentan-1-amine (PubChem CID 83155525) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)propan-2-yl]-4-methylpentan-1-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)propan-2-yl]-4-methylpentan-1-amine
PubChem CID83155525
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC NameN-[1-(4-fluorophenyl)propan-2-yl]-4-methylpentan-1-amine
SMILESCC(C)CCCNC(C)Cc1ccc(F)cc1
InChIInChI=1S/C15H24FN/c1-12(2)5-4-10-17-13(3)11-14-6-8-15(16)9-7-14/h6-9,12-13,17H,4-5,10-11H2,1-3H3
InChIKeyPEZSZRQLIHJSDM-UHFFFAOYSA-N
XLogP3.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-fluorophenyl)propan-2-yl]-7-methyloctan-1-amine
CID 114828384
4-[1-(4-fluorophenyl)propan-2-ylamino]butan-1-ol
CID 62996197
N-[1-(4-methoxyphenyl)propan-2-yl]-4-methylpentan-1-amine
CID 54914161
(2R)-1-(4-fluorophenyl)-N-(3-methoxypropyl)propan-2-amine
CID 7047069
N-[3-[4-(aminomethyl)phenyl]propyl]-1-(4-fluorophenyl)propan-2-amine
CID 165377968
1-(4-fluorophenyl)-N-(2-methylsulfanylethyl)propan-2-amine
CID 115706199
N',N'-diethyl-N-[1-(4-fluorophenyl)propan-2-yl]ethane-1,2-diamine
CID 62995128
N-(2-butoxyethyl)-1-(4-fluorophenyl)propan-2-amine
CID 62997090
1-(2,8-dimethylnonyl)-4-fluorobenzene
CID 162726877
1-(4-fluorophenyl)-N-[3-(4-prop-2-enylphenyl)propyl]propan-2-amine;molecular hydrogen;hydrate
CID 170631487
N-[4-[3-[1-(4-fluorophenyl)propan-2-ylamino]propyl]phenyl]formamide
CID 155119479
(2R)-1-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)propan-2-amine
CID 97229635

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)propan-2-yl]-4-methylpentan-1-amine?
The IUPAC name of N-[1-(4-fluorophenyl)propan-2-yl]-4-methylpentan-1-amine (CID 83155525) is N-[1-(4-fluorophenyl)propan-2-yl]-4-methylpentan-1-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)propan-2-yl]-4-methylpentan-1-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)propan-2-yl]-4-methylpentan-1-amine is CC(C)CCCNC(C)Cc1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)propan-2-yl]-4-methylpentan-1-amine?
The InChIKey is PEZSZRQLIHJSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN/c1-12(2)5-4-10-17-13(3)11-14-6-8-15(16)9-7-14/h6-9,12-13,17H,4-5,10-11H2,1-3H3.
What are the key properties of N-[1-(4-fluorophenyl)propan-2-yl]-4-methylpentan-1-amine?
N-[1-(4-fluorophenyl)propan-2-yl]-4-methylpentan-1-amine has a molecular weight of 237.36 g/mol, XLogP of 3.78, 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]-4-methylpentan-1-amine is sourced from PubChem (CID 83155525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).