2-[(2-bromo-5-fluorophenyl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine

C15H23BrFN — CID 63509190

IUPAC2-[(2-bromo-5-fluorophenyl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine
SMILESCCC(C)(CNC(C)C)Cc1cc(F)ccc1Br
InChIInChI=1S/C15H23BrFN/c1-5-15(4,10-18-11(2)3)9-12-8-13(17)6-7-14(12)16/h6-8,11,18H,5,9-10H2,1-4H3
InChIKeySHFVDJKYGCUKIQ-UHFFFAOYSA-N
MW316.26 g/mol
LogP4.55
Rot. Bonds6

About 2-[(2-bromo-5-fluorophenyl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine

2-[(2-bromo-5-fluorophenyl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 63509190) has the molecular formula C15H23BrFN and a molecular weight of 316.26 g/mol. Its IUPAC name is 2-[(2-bromo-5-fluorophenyl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-[(2-bromo-5-fluorophenyl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine
PubChem CID63509190
Molecular FormulaC15H23BrFN
Molecular Weight316.26 g/mol
Exact Mass315.10
IUPAC Name2-[(2-bromo-5-fluorophenyl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine
SMILESCCC(C)(CNC(C)C)Cc1cc(F)ccc1Br
InChIInChI=1S/C15H23BrFN/c1-5-15(4,10-18-11(2)3)9-12-8-13(17)6-7-14(12)16/h6-8,11,18H,5,9-10H2,1-4H3
InChIKeySHFVDJKYGCUKIQ-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.26
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-bromo-5-fluorophenyl)methyl]-N-tert-butyl-2-methylbutan-1-amine
CID 55196819
2-[(3-fluorophenyl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine
CID 62726299
2-[(3-bromo-5-fluorophenyl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine
CID 79709505
3-(2-bromo-5-fluorophenyl)-N-tert-butyl-2,2-dimethylpropan-1-amine
CID 62723348
2-[(2-bromo-5-fluorophenyl)methyl]-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 83151219
1-bromo-2-[2-(bromomethyl)-2-ethylbutyl]-4-fluorobenzene
CID 66050911
2-[(2-bromo-5-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine
CID 83160097
1-(2-bromo-5-fluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylpentane-2,3-diamine
CID 79063287
4-(2-bromo-5-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 81035051
1-(2-bromo-5-fluorophenyl)-2-methylpentan-2-amine
CID 65020022
1-(2-bromo-5-fluorophenyl)-4-(propan-2-ylamino)butan-2-one
CID 116556409
N-[2-[(2,5-difluorophenyl)methyl]-2-methylbutyl]cyclopropanamine
CID 62717985

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-fluorophenyl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-[(2-bromo-5-fluorophenyl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine (CID 63509190) is 2-[(2-bromo-5-fluorophenyl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-[(2-bromo-5-fluorophenyl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-[(2-bromo-5-fluorophenyl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine is CCC(C)(CNC(C)C)Cc1cc(F)ccc1Br.
What is the InChIKey of 2-[(2-bromo-5-fluorophenyl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is SHFVDJKYGCUKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrFN/c1-5-15(4,10-18-11(2)3)9-12-8-13(17)6-7-14(12)16/h6-8,11,18H,5,9-10H2,1-4H3.
What are the key properties of 2-[(2-bromo-5-fluorophenyl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine?
2-[(2-bromo-5-fluorophenyl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 316.26 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-5-fluorophenyl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 63509190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).