N-butyl-N-[(4-fluorophenyl)methyl]butan-1-amine

C15H24FN — CID 6422133

IUPACN-butyl-N-[(4-fluorophenyl)methyl]butan-1-amine
SMILESCCCCN(CCCC)Cc1ccc(F)cc1
InChIInChI=1S/C15H24FN/c1-3-5-11-17(12-6-4-2)13-14-7-9-15(16)10-8-14/h7-10H,3-6,11-13H2,1-2H3
InChIKeyXLJNALOGWZHOQI-UHFFFAOYSA-N
MW237.36 g/mol
LogP4.23
Rot. Bonds8

About N-butyl-N-[(4-fluorophenyl)methyl]butan-1-amine

N-butyl-N-[(4-fluorophenyl)methyl]butan-1-amine (PubChem CID 6422133) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is N-butyl-N-[(4-fluorophenyl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-butyl-N-[(4-fluorophenyl)methyl]butan-1-amine
PubChem CID6422133
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC NameN-butyl-N-[(4-fluorophenyl)methyl]butan-1-amine
SMILESCCCCN(CCCC)Cc1ccc(F)cc1
InChIInChI=1S/C15H24FN/c1-3-5-11-17(12-6-4-2)13-14-7-9-15(16)10-8-14/h7-10H,3-6,11-13H2,1-2H3
InChIKeyXLJNALOGWZHOQI-UHFFFAOYSA-N
XLogP4.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-chloroethyl)-N-[(4-fluorophenyl)methyl]butan-1-amine
CID 63389177
3-[butyl-[(4-fluorophenyl)methyl]amino]propanoic acid
CID 82328171
N-butyl-N-[(4-iodophenyl)methyl]butan-1-amine
CID 65478140
2-[(4-fluorophenyl)methyl-propylamino]ethanol
CID 783658
4-[(dibutylamino)methyl]aniline;dihydrochloride
CID 90478012
N-[(4-fluorophenyl)methyl]-N-[(E)-3-phenylprop-2-enyl]butan-1-amine
CID 122547632
N-butyl-N-[(4-methoxyphenyl)methyl]butan-1-amine
CID 6422491
2-chloro-N-ethyl-N-[(4-fluorophenyl)methyl]ethanamine
CID 63387186
N-benzyl-N-propylbutan-1-amine;ethane
CID 143530424
N-(2-chloroethyl)-N-[(4-methylphenyl)methyl]butan-1-amine
CID 63389176
(Z)-N-benzyl-N-butyl-5-(4-fluorophenyl)-2-methylidenepent-3-en-1-amine
CID 155405754
N-[(4-bromophenyl)methyl]-N-undecylundecan-1-amine
CID 6426449

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[(4-fluorophenyl)methyl]butan-1-amine?
The IUPAC name of N-butyl-N-[(4-fluorophenyl)methyl]butan-1-amine (CID 6422133) is N-butyl-N-[(4-fluorophenyl)methyl]butan-1-amine.
What is the SMILES notation for N-butyl-N-[(4-fluorophenyl)methyl]butan-1-amine?
The canonical SMILES for N-butyl-N-[(4-fluorophenyl)methyl]butan-1-amine is CCCCN(CCCC)Cc1ccc(F)cc1.
What is the InChIKey of N-butyl-N-[(4-fluorophenyl)methyl]butan-1-amine?
The InChIKey is XLJNALOGWZHOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN/c1-3-5-11-17(12-6-4-2)13-14-7-9-15(16)10-8-14/h7-10H,3-6,11-13H2,1-2H3.
What are the key properties of N-butyl-N-[(4-fluorophenyl)methyl]butan-1-amine?
N-butyl-N-[(4-fluorophenyl)methyl]butan-1-amine has a molecular weight of 237.36 g/mol, XLogP of 4.23, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[(4-fluorophenyl)methyl]butan-1-amine is sourced from PubChem (CID 6422133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).