N-[1-(4-bromo-2-fluorophenyl)ethyl]-3-methylbutan-1-amine

C13H19BrFN — CID 82961496

IUPACN-[1-(4-bromo-2-fluorophenyl)ethyl]-3-methylbutan-1-amine
SMILESCC(C)CCNC(C)c1ccc(Br)cc1F
InChIInChI=1S/C13H19BrFN/c1-9(2)6-7-16-10(3)12-5-4-11(14)8-13(12)15/h4-5,8-10,16H,6-7H2,1-3H3
InChIKeyHYLPHWLGGAPHKS-UHFFFAOYSA-N
MW288.20 g/mol
LogP4.28
Rot. Bonds5

About N-[1-(4-bromo-2-fluorophenyl)ethyl]-3-methylbutan-1-amine

N-[1-(4-bromo-2-fluorophenyl)ethyl]-3-methylbutan-1-amine (PubChem CID 82961496) has the molecular formula C13H19BrFN and a molecular weight of 288.20 g/mol. Its IUPAC name is N-[1-(4-bromo-2-fluorophenyl)ethyl]-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-[1-(4-bromo-2-fluorophenyl)ethyl]-3-methylbutan-1-amine
PubChem CID82961496
Molecular FormulaC13H19BrFN
Molecular Weight288.20 g/mol
Exact Mass287.07
IUPAC NameN-[1-(4-bromo-2-fluorophenyl)ethyl]-3-methylbutan-1-amine
SMILESCC(C)CCNC(C)c1ccc(Br)cc1F
InChIInChI=1S/C13H19BrFN/c1-9(2)6-7-16-10(3)12-5-4-11(14)8-13(12)15/h4-5,8-10,16H,6-7H2,1-3H3
InChIKeyHYLPHWLGGAPHKS-UHFFFAOYSA-N
XLogP4.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.20
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[1-(4-bromo-2-fluorophenyl)ethylamino]butan-2-ol
CID 82964342
(3R)-N-[(1S)-1-(4-bromo-2-fluorophenyl)ethyl]-3-[(S)-methylsulfinyl]butan-1-amine
CID 99577329
N'-[1-(4-bromo-2-fluorophenyl)ethyl]propane-1,3-diamine
CID 82963535
N-[1-(4-bromo-2-fluorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 82963086
5-[1-(4-bromo-2-fluorophenyl)ethylamino]-2-methylpentan-1-ol
CID 102613092
N-[1-(4-bromo-2-fluorophenyl)ethyl]decan-1-amine
CID 82963081
3-[1-(4-bromo-2-fluorophenyl)ethylamino]propanenitrile
CID 82963032
N-[1-(4-bromo-2-fluorophenyl)ethyl]-2,2-difluoroethanamine
CID 82964200
N-[1-(4-bromo-2-fluorophenyl)ethyl]-4-propan-2-yloxybutan-1-amine
CID 102613420
N-[1-(5-bromo-2-fluorophenyl)ethyl]-7-methyloctan-1-amine
CID 82962730
N-[1-(4-bromo-2-fluorophenyl)ethyl]-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 82964773
3-[1-(4-bromo-2-fluorophenyl)ethylamino]-N,N-dimethylpropanamide
CID 82962909

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromo-2-fluorophenyl)ethyl]-3-methylbutan-1-amine?
The IUPAC name of N-[1-(4-bromo-2-fluorophenyl)ethyl]-3-methylbutan-1-amine (CID 82961496) is N-[1-(4-bromo-2-fluorophenyl)ethyl]-3-methylbutan-1-amine.
What is the SMILES notation for N-[1-(4-bromo-2-fluorophenyl)ethyl]-3-methylbutan-1-amine?
The canonical SMILES for N-[1-(4-bromo-2-fluorophenyl)ethyl]-3-methylbutan-1-amine is CC(C)CCNC(C)c1ccc(Br)cc1F.
What is the InChIKey of N-[1-(4-bromo-2-fluorophenyl)ethyl]-3-methylbutan-1-amine?
The InChIKey is HYLPHWLGGAPHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrFN/c1-9(2)6-7-16-10(3)12-5-4-11(14)8-13(12)15/h4-5,8-10,16H,6-7H2,1-3H3.
What are the key properties of N-[1-(4-bromo-2-fluorophenyl)ethyl]-3-methylbutan-1-amine?
N-[1-(4-bromo-2-fluorophenyl)ethyl]-3-methylbutan-1-amine has a molecular weight of 288.20 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromo-2-fluorophenyl)ethyl]-3-methylbutan-1-amine is sourced from PubChem (CID 82961496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).