2-(4-fluorophenyl)-6-methyl-N-propylheptan-1-amine

C17H28FN — CID 83169177

IUPAC2-(4-fluorophenyl)-6-methyl-N-propylheptan-1-amine
SMILESCCCNCC(CCCC(C)C)c1ccc(F)cc1
InChIInChI=1S/C17H28FN/c1-4-12-19-13-16(7-5-6-14(2)3)15-8-10-17(18)11-9-15/h8-11,14,16,19H,4-7,12-13H2,1-3H3
InChIKeyZZMWUZFAABTQQE-UHFFFAOYSA-N
MW265.42 g/mol
LogP4.74
Rot. Bonds9

About 2-(4-fluorophenyl)-6-methyl-N-propylheptan-1-amine

2-(4-fluorophenyl)-6-methyl-N-propylheptan-1-amine (PubChem CID 83169177) has the molecular formula C17H28FN and a molecular weight of 265.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-methyl-N-propylheptan-1-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-methyl-N-propylheptan-1-amine
PubChem CID83169177
Molecular FormulaC17H28FN
Molecular Weight265.42 g/mol
Exact Mass265.22
IUPAC Name2-(4-fluorophenyl)-6-methyl-N-propylheptan-1-amine
SMILESCCCNCC(CCCC(C)C)c1ccc(F)cc1
InChIInChI=1S/C17H28FN/c1-4-12-19-13-16(7-5-6-14(2)3)15-8-10-17(18)11-9-15/h8-11,14,16,19H,4-7,12-13H2,1-3H3
InChIKeyZZMWUZFAABTQQE-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 54.74
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

2-(4-fluorophenyl)-N-methylhexan-1-amine
CID 79442456
2-(4-fluorophenyl)-4-propan-2-ylsulfonyl-N-propylbutan-1-amine
CID 106730175
N-tert-butyl-2-(4-fluorophenyl)-6-methylheptan-1-amine
CID 83168684
2-(4-fluorophenyl)-6-methylheptan-1-amine
CID 83169540
2-(4-fluorophenyl)-5-methoxy-N-(2-methylpropyl)pentan-1-amine
CID 79437714
N-ethyl-2-(4-fluorophenyl)-5-methylsulfanylpentan-1-amine
CID 113474259
2-(4-chlorophenyl)-N-propylnonan-1-amine
CID 79438605
2-(4-chlorophenyl)-N-propyloctan-1-amine
CID 79437453
2-(2-bromophenyl)-6-methyl-N-propylheptan-1-amine
CID 83168332
N-[2-(4-fluorophenyl)propyl]-3-methylbutan-1-amine
CID 115909228
2-phenyl-N-propylnonan-1-amine
CID 65429485
2-(4-fluorophenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 79437798

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-methyl-N-propylheptan-1-amine?
The IUPAC name of 2-(4-fluorophenyl)-6-methyl-N-propylheptan-1-amine (CID 83169177) is 2-(4-fluorophenyl)-6-methyl-N-propylheptan-1-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-6-methyl-N-propylheptan-1-amine?
The canonical SMILES for 2-(4-fluorophenyl)-6-methyl-N-propylheptan-1-amine is CCCNCC(CCCC(C)C)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-6-methyl-N-propylheptan-1-amine?
The InChIKey is ZZMWUZFAABTQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN/c1-4-12-19-13-16(7-5-6-14(2)3)15-8-10-17(18)11-9-15/h8-11,14,16,19H,4-7,12-13H2,1-3H3.
What are the key properties of 2-(4-fluorophenyl)-6-methyl-N-propylheptan-1-amine?
2-(4-fluorophenyl)-6-methyl-N-propylheptan-1-amine has a molecular weight of 265.42 g/mol, XLogP of 4.74, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-methyl-N-propylheptan-1-amine is sourced from PubChem (CID 83169177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).