1-(2-chloro-4-fluorophenyl)-N-propylnonan-2-amine

C18H29ClFN — CID 63419904

IUPAC1-(2-chloro-4-fluorophenyl)-N-propylnonan-2-amine
SMILESCCCCCCCC(Cc1ccc(F)cc1Cl)NCCC
InChIInChI=1S/C18H29ClFN/c1-3-5-6-7-8-9-17(21-12-4-2)13-15-10-11-16(20)14-18(15)19/h10-11,14,17,21H,3-9,12-13H2,1-2H3
InChIKeyNLDHNMDVOYTBDK-UHFFFAOYSA-N
MW313.89 g/mol
LogP5.75
Rot. Bonds11

About 1-(2-chloro-4-fluorophenyl)-N-propylnonan-2-amine

1-(2-chloro-4-fluorophenyl)-N-propylnonan-2-amine (PubChem CID 63419904) has the molecular formula C18H29ClFN and a molecular weight of 313.89 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-N-propylnonan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-N-propylnonan-2-amine
PubChem CID63419904
Molecular FormulaC18H29ClFN
Molecular Weight313.89 g/mol
Exact Mass313.20
IUPAC Name1-(2-chloro-4-fluorophenyl)-N-propylnonan-2-amine
SMILESCCCCCCCC(Cc1ccc(F)cc1Cl)NCCC
InChIInChI=1S/C18H29ClFN/c1-3-5-6-7-8-9-17(21-12-4-2)13-15-10-11-16(20)14-18(15)19/h10-11,14,17,21H,3-9,12-13H2,1-2H3
InChIKeyNLDHNMDVOYTBDK-UHFFFAOYSA-N
XLogP5.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.89
LogP ≤ 55.75
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

1-(2-bromo-4-fluorophenyl)-N-propylheptan-2-amine
CID 115843240
1-(5-fluoro-2-methylphenyl)-N-propylheptan-2-amine
CID 105377481
1-(2-chloro-4-fluorophenyl)-5-methyl-N-propylhex-5-en-2-amine
CID 114474615
1-(2-chloro-4-fluorophenyl)-N-ethylpentan-2-amine
CID 62602369
1-(2-chloro-4-fluorophenyl)dodecan-2-ol
CID 63410954
1-(2-chloro-4-fluorophenyl)-N-propylhex-4-yn-2-amine
CID 63033879
1-(2-chloro-4-fluorophenyl)-N-ethylnon-8-en-2-amine
CID 107009055
1-(2-chloro-4-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine
CID 103025074
1-(4-fluorophenyl)-N-propylheptan-2-amine
CID 55187752
1-(4-chloro-2-fluorophenyl)-N-ethylnonan-2-amine
CID 105055551
N-[2-(2-chloro-4-fluorophenyl)-1-cyclopropylethyl]propan-1-amine
CID 55095503
1-(2,4-difluorophenyl)-6,6,6-trifluoro-N-propylhexan-2-amine
CID 115516838

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-N-propylnonan-2-amine?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-N-propylnonan-2-amine (CID 63419904) is 1-(2-chloro-4-fluorophenyl)-N-propylnonan-2-amine.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-N-propylnonan-2-amine?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-N-propylnonan-2-amine is CCCCCCCC(Cc1ccc(F)cc1Cl)NCCC.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-N-propylnonan-2-amine?
The InChIKey is NLDHNMDVOYTBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClFN/c1-3-5-6-7-8-9-17(21-12-4-2)13-15-10-11-16(20)14-18(15)19/h10-11,14,17,21H,3-9,12-13H2,1-2H3.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-N-propylnonan-2-amine?
1-(2-chloro-4-fluorophenyl)-N-propylnonan-2-amine has a molecular weight of 313.89 g/mol, XLogP of 5.75, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-N-propylnonan-2-amine is sourced from PubChem (CID 63419904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).