4-(3-fluorophenyl)-N,3,3-trimethylbutan-1-amine

C13H20FN — CID 81022804

IUPAC4-(3-fluorophenyl)-N,3,3-trimethylbutan-1-amine
SMILESCNCCC(C)(C)Cc1cccc(F)c1
InChIInChI=1S/C13H20FN/c1-13(2,7-8-15-3)10-11-5-4-6-12(14)9-11/h4-6,9,15H,7-8,10H2,1-3H3
InChIKeyHKIZJQRPMOGRTA-UHFFFAOYSA-N
MW209.31 g/mol
LogP3.00
Rot. Bonds5

About 4-(3-fluorophenyl)-N,3,3-trimethylbutan-1-amine

4-(3-fluorophenyl)-N,3,3-trimethylbutan-1-amine (PubChem CID 81022804) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-N,3,3-trimethylbutan-1-amine.

Molecular Properties

Compound Name4-(3-fluorophenyl)-N,3,3-trimethylbutan-1-amine
PubChem CID81022804
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name4-(3-fluorophenyl)-N,3,3-trimethylbutan-1-amine
SMILESCNCCC(C)(C)Cc1cccc(F)c1
InChIInChI=1S/C13H20FN/c1-13(2,7-8-15-3)10-11-5-4-6-12(14)9-11/h4-6,9,15H,7-8,10H2,1-3H3
InChIKeyHKIZJQRPMOGRTA-UHFFFAOYSA-N
XLogP3.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2,3-difluorophenyl)-N,3,3-trimethylbutan-1-amine
CID 81021988
2,2-difluoro-3-(3-fluorophenyl)-N-methylpropan-1-amine
CID 105455069
azane;1-(2,2-dimethylpropyl)-3-fluorobenzene
CID 174720332
3-[(3-fluorophenyl)methyl]-N-methylbut-3-en-1-amine
CID 117268846
1-(3-fluorophenyl)-N-methylmethanamine;methane
CID 144941396
6-[[2-(3-fluorophenyl)acetyl]amino]-4,4-dimethylhexanoic acid
CID 65284126
1-(3-fluorophenyl)-2-methyl-3-phenylpropan-2-amine
CID 115608470
1-(3-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 60798491
2-N-[(3-fluorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115132755
N'-[2-(3-fluorophenyl)ethyl]-N-methylbutane-1,4-diamine
CID 115202153
1-(3-fluorophenyl)-2-methyl-4-(2-methylpropylamino)butan-2-ol
CID 66000874
(Z)-4-(3-fluorophenyl)-N-methylbut-2-en-1-amine
CID 117265824

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-N,3,3-trimethylbutan-1-amine?
The IUPAC name of 4-(3-fluorophenyl)-N,3,3-trimethylbutan-1-amine (CID 81022804) is 4-(3-fluorophenyl)-N,3,3-trimethylbutan-1-amine.
What is the SMILES notation for 4-(3-fluorophenyl)-N,3,3-trimethylbutan-1-amine?
The canonical SMILES for 4-(3-fluorophenyl)-N,3,3-trimethylbutan-1-amine is CNCCC(C)(C)Cc1cccc(F)c1.
What is the InChIKey of 4-(3-fluorophenyl)-N,3,3-trimethylbutan-1-amine?
The InChIKey is HKIZJQRPMOGRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN/c1-13(2,7-8-15-3)10-11-5-4-6-12(14)9-11/h4-6,9,15H,7-8,10H2,1-3H3.
What are the key properties of 4-(3-fluorophenyl)-N,3,3-trimethylbutan-1-amine?
4-(3-fluorophenyl)-N,3,3-trimethylbutan-1-amine has a molecular weight of 209.31 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-N,3,3-trimethylbutan-1-amine is sourced from PubChem (CID 81022804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).