N-tert-butyl-2-[(3-fluorophenyl)methyl]butan-1-amine

C15H24FN — CID 62516409

IUPACN-tert-butyl-2-[(3-fluorophenyl)methyl]butan-1-amine
SMILESCCC(CNC(C)(C)C)Cc1cccc(F)c1
InChIInChI=1S/C15H24FN/c1-5-12(11-17-15(2,3)4)9-13-7-6-8-14(16)10-13/h6-8,10,12,17H,5,9,11H2,1-4H3
InChIKeyUDQPOFVONZXART-UHFFFAOYSA-N
MW237.36 g/mol
LogP3.78
Rot. Bonds5

About N-tert-butyl-2-[(3-fluorophenyl)methyl]butan-1-amine

N-tert-butyl-2-[(3-fluorophenyl)methyl]butan-1-amine (PubChem CID 62516409) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is N-tert-butyl-2-[(3-fluorophenyl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-[(3-fluorophenyl)methyl]butan-1-amine
PubChem CID62516409
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC NameN-tert-butyl-2-[(3-fluorophenyl)methyl]butan-1-amine
SMILESCCC(CNC(C)(C)C)Cc1cccc(F)c1
InChIInChI=1S/C15H24FN/c1-5-12(11-17-15(2,3)4)9-13-7-6-8-14(16)10-13/h6-8,10,12,17H,5,9,11H2,1-4H3
InChIKeyUDQPOFVONZXART-UHFFFAOYSA-N
XLogP3.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-2-[(3-fluorophenyl)methyl]-4-methoxybutan-1-amine
CID 62515251
N-tert-butyl-4-ethyl-2-[(4-fluorophenyl)methyl]hexan-1-amine
CID 82925740
N-tert-butyl-4-(3-fluorophenyl)-2-methylbutan-1-amine
CID 64663958
2-[(3-bromophenyl)methyl]-N-tert-butylpentan-1-amine
CID 63496756
1-N-tert-butyl-2-N-[(3-fluorophenyl)methyl]-2-N-methylpentane-1,2-diamine
CID 83042724
1-fluoro-3-[(2S)-2-methylbutyl]benzene
CID 125477231
2-benzyl-3-(3-bromophenyl)-N-tert-butylpropan-1-amine
CID 63496194
2-[(3-fluorophenyl)methyl]-4-methyl-N-propan-2-ylhexan-1-amine
CID 63522096
N-tert-butyl-2-[(3-chlorophenyl)methyl]hexan-1-amine
CID 63522455
[1-(3-fluorophenyl)-3,3-dimethylpentan-2-yl]hydrazine
CID 105286476
N-tert-butyl-2-ethyl-2-[(3-fluorophenyl)methyl]butan-1-amine
CID 63507260
N-tert-butyl-2-[(3-methylphenyl)methyl]-3-trimethylsilylpropan-1-amine
CID 106323236

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(3-fluorophenyl)methyl]butan-1-amine?
The IUPAC name of N-tert-butyl-2-[(3-fluorophenyl)methyl]butan-1-amine (CID 62516409) is N-tert-butyl-2-[(3-fluorophenyl)methyl]butan-1-amine.
What is the SMILES notation for N-tert-butyl-2-[(3-fluorophenyl)methyl]butan-1-amine?
The canonical SMILES for N-tert-butyl-2-[(3-fluorophenyl)methyl]butan-1-amine is CCC(CNC(C)(C)C)Cc1cccc(F)c1.
What is the InChIKey of N-tert-butyl-2-[(3-fluorophenyl)methyl]butan-1-amine?
The InChIKey is UDQPOFVONZXART-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN/c1-5-12(11-17-15(2,3)4)9-13-7-6-8-14(16)10-13/h6-8,10,12,17H,5,9,11H2,1-4H3.
What are the key properties of N-tert-butyl-2-[(3-fluorophenyl)methyl]butan-1-amine?
N-tert-butyl-2-[(3-fluorophenyl)methyl]butan-1-amine has a molecular weight of 237.36 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(3-fluorophenyl)methyl]butan-1-amine is sourced from PubChem (CID 62516409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).