2-[(2-fluorophenyl)methyl]-N-methyl-4-propoxybutan-1-amine

C15H24FNO — CID 106456725

IUPAC2-[(2-fluorophenyl)methyl]-N-methyl-4-propoxybutan-1-amine
SMILESCCCOCCC(CNC)Cc1ccccc1F
InChIInChI=1S/C15H24FNO/c1-3-9-18-10-8-13(12-17-2)11-14-6-4-5-7-15(14)16/h4-7,13,17H,3,8-12H2,1-2H3
InChIKeySVGFTSCLWKIZBI-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.02
Rot. Bonds9

About 2-[(2-fluorophenyl)methyl]-N-methyl-4-propoxybutan-1-amine

2-[(2-fluorophenyl)methyl]-N-methyl-4-propoxybutan-1-amine (PubChem CID 106456725) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-N-methyl-4-propoxybutan-1-amine.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-N-methyl-4-propoxybutan-1-amine
PubChem CID106456725
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name2-[(2-fluorophenyl)methyl]-N-methyl-4-propoxybutan-1-amine
SMILESCCCOCCC(CNC)Cc1ccccc1F
InChIInChI=1S/C15H24FNO/c1-3-9-18-10-8-13(12-17-2)11-14-6-4-5-7-15(14)16/h4-7,13,17H,3,8-12H2,1-2H3
InChIKeySVGFTSCLWKIZBI-UHFFFAOYSA-N
XLogP3.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-fluorophenyl)-N-methyl-4-propoxybutan-2-amine
CID 105090111
N-ethyl-2-[(2-fluorophenyl)methyl]-4-(2-methylpropoxy)butan-1-amine
CID 106456726
2-[(2-fluorophenyl)methyl]-N-methyl-5-phenylpentan-1-amine
CID 62514753
2-[(2-bromophenyl)methyl]-N-methyl-4-(3-methylbutoxy)butan-1-amine
CID 62516836
2-[(2-chlorophenyl)methyl]-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62514759
2-[(2-fluorophenyl)methyl]-4-[(2-methylpropan-2-yl)oxy]-N-propylbutan-1-amine
CID 115943381
N-tert-butyl-2-[(2-methylphenyl)methyl]-4-propoxybutan-1-amine
CID 106456722
N-tert-butyl-2-[(2-chlorophenyl)methyl]-4-propoxybutan-1-amine
CID 106456746
5-ethoxy-2-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)pentan-1-amine
CID 65181083
1-(2-ethylbutyl)-2-fluorobenzene
CID 139973427
2-[(2-chloro-6-fluorophenyl)methyl]-3-(2-fluorophenyl)-N-methylpropan-1-amine
CID 62514397
2-[(2,5-dimethylphenyl)methyl]-3-(2-fluorophenyl)-N-methylpropan-1-amine
CID 62516825

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-N-methyl-4-propoxybutan-1-amine?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-N-methyl-4-propoxybutan-1-amine (CID 106456725) is 2-[(2-fluorophenyl)methyl]-N-methyl-4-propoxybutan-1-amine.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-N-methyl-4-propoxybutan-1-amine?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-N-methyl-4-propoxybutan-1-amine is CCCOCCC(CNC)Cc1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-N-methyl-4-propoxybutan-1-amine?
The InChIKey is SVGFTSCLWKIZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-3-9-18-10-8-13(12-17-2)11-14-6-4-5-7-15(14)16/h4-7,13,17H,3,8-12H2,1-2H3.
What are the key properties of 2-[(2-fluorophenyl)methyl]-N-methyl-4-propoxybutan-1-amine?
2-[(2-fluorophenyl)methyl]-N-methyl-4-propoxybutan-1-amine has a molecular weight of 253.36 g/mol, XLogP of 3.02, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-N-methyl-4-propoxybutan-1-amine is sourced from PubChem (CID 106456725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).