2-[(3-fluorophenyl)methyl]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine

C17H28FN — CID 83138561

IUPAC2-[(3-fluorophenyl)methyl]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCC(Cc1cccc(F)c1)C(C)(C)C
InChIInChI=1S/C17H28FN/c1-13(2)11-19-12-15(17(3,4)5)9-14-7-6-8-16(18)10-14/h6-8,10,13,15,19H,9,11-12H2,1-5H3
InChIKeyVJYKQEDLIAEYFX-UHFFFAOYSA-N
MW265.42 g/mol
LogP4.28
Rot. Bonds6

About 2-[(3-fluorophenyl)methyl]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine

2-[(3-fluorophenyl)methyl]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 83138561) has the molecular formula C17H28FN and a molecular weight of 265.42 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
PubChem CID83138561
Molecular FormulaC17H28FN
Molecular Weight265.42 g/mol
Exact Mass265.22
IUPAC Name2-[(3-fluorophenyl)methyl]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCC(Cc1cccc(F)c1)C(C)(C)C
InChIInChI=1S/C17H28FN/c1-13(2)11-19-12-15(17(3,4)5)9-14-7-6-8-16(18)10-14/h6-8,10,13,15,19H,9,11-12H2,1-5H3
InChIKeyVJYKQEDLIAEYFX-UHFFFAOYSA-N
XLogP4.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-chlorophenyl)methyl]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 83138262
2-[(3-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 62718469
ethane;1-fluoro-3-(2-methylpropyl)benzene
CID 142079473
1-(3-fluorophenyl)-2-methyl-4-(2-methylpropylamino)butan-2-ol
CID 66000874
2-[(3-fluorophenyl)methyl]-3-(furan-2-yl)-N-(2-methylpropyl)propan-1-amine
CID 62998868
3-(3-fluorophenyl)-2-methyl-2-(2-methylpropylamino)propan-1-ol
CID 114834241
N-ethyl-3,3-dimethyl-2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 83139698
1-(2-bromo-3,3-dimethylbutyl)-3-fluorobenzene
CID 63543994
2-(3-fluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 66243831
1-(3-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 60904161
2-[(3-fluorophenyl)methyl]-N-(2-methylpropyl)-4-phenylmethoxybutan-1-amine
CID 112752307
2,3-dimethyl-N-(2-methylpropyl)-4-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 81011675

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine (CID 83138561) is 2-[(3-fluorophenyl)methyl]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine is CC(C)CNCC(Cc1cccc(F)c1)C(C)(C)C.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is VJYKQEDLIAEYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN/c1-13(2)11-19-12-15(17(3,4)5)9-14-7-6-8-16(18)10-14/h6-8,10,13,15,19H,9,11-12H2,1-5H3.
What are the key properties of 2-[(3-fluorophenyl)methyl]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine?
2-[(3-fluorophenyl)methyl]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 265.42 g/mol, XLogP of 4.28, 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]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 83138561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).