3-(4-bromo-2-fluorophenyl)-2,2-dimethyl-N-propan-2-ylpropan-1-amine

C14H21BrFN — CID 62726356

IUPAC3-(4-bromo-2-fluorophenyl)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(C)(C)Cc1ccc(Br)cc1F
InChIInChI=1S/C14H21BrFN/c1-10(2)17-9-14(3,4)8-11-5-6-12(15)7-13(11)16/h5-7,10,17H,8-9H2,1-4H3
InChIKeyJBLAFTSMWVRCNT-UHFFFAOYSA-N
MW302.23 g/mol
LogP4.15
Rot. Bonds5

About 3-(4-bromo-2-fluorophenyl)-2,2-dimethyl-N-propan-2-ylpropan-1-amine

3-(4-bromo-2-fluorophenyl)-2,2-dimethyl-N-propan-2-ylpropan-1-amine (PubChem CID 62726356) has the molecular formula C14H21BrFN and a molecular weight of 302.23 g/mol. Its IUPAC name is 3-(4-bromo-2-fluorophenyl)-2,2-dimethyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(4-bromo-2-fluorophenyl)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
PubChem CID62726356
Molecular FormulaC14H21BrFN
Molecular Weight302.23 g/mol
Exact Mass301.08
IUPAC Name3-(4-bromo-2-fluorophenyl)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(C)(C)Cc1ccc(Br)cc1F
InChIInChI=1S/C14H21BrFN/c1-10(2)17-9-14(3,4)8-11-5-6-12(15)7-13(11)16/h5-7,10,17H,8-9H2,1-4H3
InChIKeyJBLAFTSMWVRCNT-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.23
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-chloro-2-fluorophenyl)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 114858536
4-bromo-1-(4-chloro-2,2-dimethylpentyl)-2-fluorobenzene
CID 64718322
2-(4-bromo-2-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol
CID 82973890
2-[(4-bromo-2-fluorophenyl)methyl]-N-tert-butyl-2,3-dimethylbutan-1-amine
CID 83149989
1-(4-chloro-2-fluorophenyl)-2-methyl-3-(propan-2-ylamino)propan-2-ol
CID 114861726
1-(4-bromo-2-fluorophenyl)-3-(ethylamino)-2-methylpropan-2-ol
CID 66040311
N-[4-(4-bromo-2-fluorophenyl)-3,3-dimethylbutyl]cyclopropanamine
CID 81023434
2-[(4-bromo-2-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine
CID 63508741
2-[(4-bromo-2-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)but-3-en-1-amine
CID 102641463
5-[(4-bromo-2-fluorophenyl)methylamino]-4,4-dimethylpentan-2-ol
CID 111467997
N-[(4-bromo-2-fluorophenyl)methyl]-3-methylbutan-2-amine
CID 43242831
3-(4-bromo-2-fluorophenyl)-2-fluoro-2-methylpropan-1-amine
CID 112565168

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-fluorophenyl)-2,2-dimethyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(4-bromo-2-fluorophenyl)-2,2-dimethyl-N-propan-2-ylpropan-1-amine (CID 62726356) is 3-(4-bromo-2-fluorophenyl)-2,2-dimethyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(4-bromo-2-fluorophenyl)-2,2-dimethyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(4-bromo-2-fluorophenyl)-2,2-dimethyl-N-propan-2-ylpropan-1-amine is CC(C)NCC(C)(C)Cc1ccc(Br)cc1F.
What is the InChIKey of 3-(4-bromo-2-fluorophenyl)-2,2-dimethyl-N-propan-2-ylpropan-1-amine?
The InChIKey is JBLAFTSMWVRCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrFN/c1-10(2)17-9-14(3,4)8-11-5-6-12(15)7-13(11)16/h5-7,10,17H,8-9H2,1-4H3.
What are the key properties of 3-(4-bromo-2-fluorophenyl)-2,2-dimethyl-N-propan-2-ylpropan-1-amine?
3-(4-bromo-2-fluorophenyl)-2,2-dimethyl-N-propan-2-ylpropan-1-amine has a molecular weight of 302.23 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-fluorophenyl)-2,2-dimethyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 62726356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).