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

C16H26FN — CID 62718470

IUPAC2-[(4-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCCC(C)(CNCC(C)C)Cc1ccc(F)cc1
InChIInChI=1S/C16H26FN/c1-5-16(4,12-18-11-13(2)3)10-14-6-8-15(17)9-7-14/h6-9,13,18H,5,10-12H2,1-4H3
InChIKeyVIWGVYDBMJEFEJ-UHFFFAOYSA-N
MW251.39 g/mol
LogP4.03
Rot. Bonds7

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

2-[(4-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 62718470) has the molecular formula C16H26FN and a molecular weight of 251.39 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine
PubChem CID62718470
Molecular FormulaC16H26FN
Molecular Weight251.39 g/mol
Exact Mass251.20
IUPAC Name2-[(4-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCCC(C)(CNCC(C)C)Cc1ccc(F)cc1
InChIInChI=1S/C16H26FN/c1-5-16(4,12-18-11-13(2)3)10-14-6-8-15(17)9-7-14/h6-9,13,18H,5,10-12H2,1-4H3
InChIKeyVIWGVYDBMJEFEJ-UHFFFAOYSA-N
XLogP4.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-(2-methylpropyl)-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 63509368
2-[(3-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 62718469
4-(4-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 81034537
2-[(3,5-difluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine
CID 105408222
N-ethyl-2-methyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-amine
CID 63509011
N-[(4-fluorophenyl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62270448
5-(4-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)pentan-1-amine
CID 65305104
2-[[2-(4-fluorophenyl)ethylamino]methyl]-2-methylbutan-1-ol
CID 81410771
2-[(4-ethylphenyl)methyl]-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 83151559
2-[(2,4-dichlorophenyl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 63508313
2-[(2-bromo-4-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine
CID 63509440
2-[(4-ethylphenyl)methyl]-2-methyl-N-propylbutan-1-amine
CID 63509171

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine (CID 62718470) is 2-[(4-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine is CCC(C)(CNCC(C)C)Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is VIWGVYDBMJEFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN/c1-5-16(4,12-18-11-13(2)3)10-14-6-8-15(17)9-7-14/h6-9,13,18H,5,10-12H2,1-4H3.
What are the key properties of 2-[(4-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine?
2-[(4-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 251.39 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 62718470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).