4-(4-bromo-2-fluorophenyl)-N-ethyl-2,3-dimethylbutan-1-amine

C14H21BrFN — CID 81015367

IUPAC4-(4-bromo-2-fluorophenyl)-N-ethyl-2,3-dimethylbutan-1-amine
SMILESCCNCC(C)C(C)Cc1ccc(Br)cc1F
InChIInChI=1S/C14H21BrFN/c1-4-17-9-11(3)10(2)7-12-5-6-13(15)8-14(12)16/h5-6,8,10-11,17H,4,7,9H2,1-3H3
InChIKeyVUWQHQLNOIVBOI-UHFFFAOYSA-N
MW302.23 g/mol
LogP4.01
Rot. Bonds6

About 4-(4-bromo-2-fluorophenyl)-N-ethyl-2,3-dimethylbutan-1-amine

4-(4-bromo-2-fluorophenyl)-N-ethyl-2,3-dimethylbutan-1-amine (PubChem CID 81015367) has the molecular formula C14H21BrFN and a molecular weight of 302.23 g/mol. Its IUPAC name is 4-(4-bromo-2-fluorophenyl)-N-ethyl-2,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-(4-bromo-2-fluorophenyl)-N-ethyl-2,3-dimethylbutan-1-amine
PubChem CID81015367
Molecular FormulaC14H21BrFN
Molecular Weight302.23 g/mol
Exact Mass301.08
IUPAC Name4-(4-bromo-2-fluorophenyl)-N-ethyl-2,3-dimethylbutan-1-amine
SMILESCCNCC(C)C(C)Cc1ccc(Br)cc1F
InChIInChI=1S/C14H21BrFN/c1-4-17-9-11(3)10(2)7-12-5-6-13(15)8-14(12)16/h5-6,8,10-11,17H,4,7,9H2,1-3H3
InChIKeyVUWQHQLNOIVBOI-UHFFFAOYSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.23
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-bromo-2-fluorophenyl)methyl]-N-ethyl-3-methylbutan-1-amine
CID 55082719
4-(2,5-difluorophenyl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 81016553
N-[(4-bromo-2-fluorophenyl)methyl]ethanamine;ethane
CID 143672674
1-(4-bromo-2-fluorophenyl)-N-propylpropan-2-amine
CID 62601740
4-(4-bromo-2-fluorophenyl)-2,3-dimethylbutanoic acid
CID 81008051
3-[(4-bromo-2-fluorophenyl)methyl]-N,4-dimethylpentan-2-amine
CID 62914728
2-[(4-bromo-2-fluorophenyl)methyl]-4-methyl-N-(2-methylpropyl)pentan-1-amine
CID 63498493
(2S)-1-(4-bromo-2-fluorophenyl)butan-2-ol
CID 94505320
1-(4-bromo-2-fluorophenyl)-3-ethylpentan-2-ol
CID 65148579
2-(4-bromo-2-fluorophenoxy)-N-ethylpropan-1-amine
CID 62486029
1-(4-bromo-2-fluorophenyl)-N,3,3-trimethylbutan-2-amine
CID 62600037
4-bromo-2-fluoro-1-(2-methylhexyl)benzene
CID 174421477

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-fluorophenyl)-N-ethyl-2,3-dimethylbutan-1-amine?
The IUPAC name of 4-(4-bromo-2-fluorophenyl)-N-ethyl-2,3-dimethylbutan-1-amine (CID 81015367) is 4-(4-bromo-2-fluorophenyl)-N-ethyl-2,3-dimethylbutan-1-amine.
What is the SMILES notation for 4-(4-bromo-2-fluorophenyl)-N-ethyl-2,3-dimethylbutan-1-amine?
The canonical SMILES for 4-(4-bromo-2-fluorophenyl)-N-ethyl-2,3-dimethylbutan-1-amine is CCNCC(C)C(C)Cc1ccc(Br)cc1F.
What is the InChIKey of 4-(4-bromo-2-fluorophenyl)-N-ethyl-2,3-dimethylbutan-1-amine?
The InChIKey is VUWQHQLNOIVBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrFN/c1-4-17-9-11(3)10(2)7-12-5-6-13(15)8-14(12)16/h5-6,8,10-11,17H,4,7,9H2,1-3H3.
What are the key properties of 4-(4-bromo-2-fluorophenyl)-N-ethyl-2,3-dimethylbutan-1-amine?
4-(4-bromo-2-fluorophenyl)-N-ethyl-2,3-dimethylbutan-1-amine has a molecular weight of 302.23 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-fluorophenyl)-N-ethyl-2,3-dimethylbutan-1-amine is sourced from PubChem (CID 81015367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).