2-[(3-fluorophenyl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine

C15H24FN — CID 62726299

IUPAC2-[(3-fluorophenyl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine
SMILESCCC(C)(CNC(C)C)Cc1cccc(F)c1
InChIInChI=1S/C15H24FN/c1-5-15(4,11-17-12(2)3)10-13-7-6-8-14(16)9-13/h6-9,12,17H,5,10-11H2,1-4H3
InChIKeyDZZHEWMCGXIKGI-UHFFFAOYSA-N
MW237.36 g/mol
LogP3.78
Rot. Bonds6

About 2-[(3-fluorophenyl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine

2-[(3-fluorophenyl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 62726299) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine
PubChem CID62726299
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC Name2-[(3-fluorophenyl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine
SMILESCCC(C)(CNC(C)C)Cc1cccc(F)c1
InChIInChI=1S/C15H24FN/c1-5-15(4,11-17-12(2)3)10-13-7-6-8-14(16)9-13/h6-9,12,17H,5,10-11H2,1-4H3
InChIKeyDZZHEWMCGXIKGI-UHFFFAOYSA-N
XLogP3.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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

2-[(3-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 62718469
2-[(3-bromo-5-fluorophenyl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine
CID 79709505
N-ethyl-3-[(3-fluorophenyl)methyl]pentan-3-amine
CID 71052511
N-tert-butyl-2-ethyl-2-[(3-fluorophenyl)methyl]butan-1-amine
CID 63507260
1-(3-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 60798491
2-[(2,6-difluorophenyl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine
CID 114933559
azane;1-(2,2-dimethylpropyl)-3-fluorobenzene
CID 174720332
2-(3-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol
CID 62773399
2-[(3-chloro-4-fluorophenyl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine
CID 103041060
2-ethyl-2-[(3-methylphenyl)methyl]-N-propan-2-ylbutan-1-amine
CID 63508982
3-ethyl-1-(3-fluorophenyl)-2-methylpentan-2-amine
CID 114833983
(2S)-N-[2-(3-fluorophenyl)ethyl]butan-2-amine
CID 93246045

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine (CID 62726299) is 2-[(3-fluorophenyl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine is CCC(C)(CNC(C)C)Cc1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is DZZHEWMCGXIKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN/c1-5-15(4,11-17-12(2)3)10-13-7-6-8-14(16)9-13/h6-9,12,17H,5,10-11H2,1-4H3.
What are the key properties of 2-[(3-fluorophenyl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine?
2-[(3-fluorophenyl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 237.36 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 62726299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).