N-ethyl-2-[(2-fluorophenyl)methyl]-4-(2-methylpropoxy)butan-1-amine

C17H28FNO — CID 106456726

IUPACN-ethyl-2-[(2-fluorophenyl)methyl]-4-(2-methylpropoxy)butan-1-amine
SMILESCCNCC(CCOCC(C)C)Cc1ccccc1F
InChIInChI=1S/C17H28FNO/c1-4-19-12-15(9-10-20-13-14(2)3)11-16-7-5-6-8-17(16)18/h5-8,14-15,19H,4,9-13H2,1-3H3
InChIKeyCEXBGKZDNZCGNF-UHFFFAOYSA-N
MW281.41 g/mol
LogP3.66
Rot. Bonds10

About N-ethyl-2-[(2-fluorophenyl)methyl]-4-(2-methylpropoxy)butan-1-amine

N-ethyl-2-[(2-fluorophenyl)methyl]-4-(2-methylpropoxy)butan-1-amine (PubChem CID 106456726) has the molecular formula C17H28FNO and a molecular weight of 281.41 g/mol. Its IUPAC name is N-ethyl-2-[(2-fluorophenyl)methyl]-4-(2-methylpropoxy)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[(2-fluorophenyl)methyl]-4-(2-methylpropoxy)butan-1-amine
PubChem CID106456726
Molecular FormulaC17H28FNO
Molecular Weight281.41 g/mol
Exact Mass281.22
IUPAC NameN-ethyl-2-[(2-fluorophenyl)methyl]-4-(2-methylpropoxy)butan-1-amine
SMILESCCNCC(CCOCC(C)C)Cc1ccccc1F
InChIInChI=1S/C17H28FNO/c1-4-19-12-15(9-10-20-13-14(2)3)11-16-7-5-6-8-17(16)18/h5-8,14-15,19H,4,9-13H2,1-3H3
InChIKeyCEXBGKZDNZCGNF-UHFFFAOYSA-N
XLogP3.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.41
LogP ≤ 53.66
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

N-ethyl-2-[(2-methoxyphenyl)methyl]-4-(2-methylpropoxy)butan-1-amine
CID 106456762
2-(ethoxymethyl)-N-ethyl-3-(2-fluorophenyl)propan-1-amine
CID 103984391
N-ethyl-2-[(3-fluorophenyl)methyl]-4-(2-methylpropoxy)butan-1-amine
CID 106456673
5-ethoxy-2-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)pentan-1-amine
CID 65181083
2-[(2-bromophenyl)methyl]-4-(2-methylpropoxy)-N-propylbutan-1-amine
CID 106456752
2-[(2-fluorophenyl)methyl]-N-methyl-4-propoxybutan-1-amine
CID 106456725
N-ethyl-5-ethylsulfonyl-2-[(2-fluorophenyl)methyl]pentan-1-amine
CID 65097228
2-[(2-bromophenyl)methyl]-N-ethyl-3-(2-fluorophenyl)propan-1-amine
CID 63522301
2-[(2-fluorophenyl)methyl]-4-[(2-methylpropan-2-yl)oxy]-N-propylbutan-1-amine
CID 115943381
2-(ethoxymethyl)-3-(2-fluorophenyl)-N-propylpropan-1-amine
CID 113361847
N-ethyl-2-[(2-methylphenyl)methyl]-4-propan-2-yloxybutan-1-amine
CID 62514748
N-ethyl-2-[(2-fluorophenyl)methyl]-3-(4-iodophenyl)propan-1-amine
CID 65489511

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(2-fluorophenyl)methyl]-4-(2-methylpropoxy)butan-1-amine?
The IUPAC name of N-ethyl-2-[(2-fluorophenyl)methyl]-4-(2-methylpropoxy)butan-1-amine (CID 106456726) is N-ethyl-2-[(2-fluorophenyl)methyl]-4-(2-methylpropoxy)butan-1-amine.
What is the SMILES notation for N-ethyl-2-[(2-fluorophenyl)methyl]-4-(2-methylpropoxy)butan-1-amine?
The canonical SMILES for N-ethyl-2-[(2-fluorophenyl)methyl]-4-(2-methylpropoxy)butan-1-amine is CCNCC(CCOCC(C)C)Cc1ccccc1F.
What is the InChIKey of N-ethyl-2-[(2-fluorophenyl)methyl]-4-(2-methylpropoxy)butan-1-amine?
The InChIKey is CEXBGKZDNZCGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FNO/c1-4-19-12-15(9-10-20-13-14(2)3)11-16-7-5-6-8-17(16)18/h5-8,14-15,19H,4,9-13H2,1-3H3.
What are the key properties of N-ethyl-2-[(2-fluorophenyl)methyl]-4-(2-methylpropoxy)butan-1-amine?
N-ethyl-2-[(2-fluorophenyl)methyl]-4-(2-methylpropoxy)butan-1-amine has a molecular weight of 281.41 g/mol, XLogP of 3.66, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(2-fluorophenyl)methyl]-4-(2-methylpropoxy)butan-1-amine is sourced from PubChem (CID 106456726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).