5-(4-bromo-5-chloro-2-fluorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine

C15H22BrClFN — CID 105400317

IUPAC5-(4-bromo-5-chloro-2-fluorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine
SMILESCC(CCNC(C)C)CCc1cc(Cl)c(Br)cc1F
InChIInChI=1S/C15H22BrClFN/c1-10(2)19-7-6-11(3)4-5-12-8-14(17)13(16)9-15(12)18/h8-11,19H,4-7H2,1-3H3
InChIKeySFEWIDYYPBHYLL-UHFFFAOYSA-N
MW350.70 g/mol
LogP5.20
Rot. Bonds7

About 5-(4-bromo-5-chloro-2-fluorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine

5-(4-bromo-5-chloro-2-fluorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine (PubChem CID 105400317) has the molecular formula C15H22BrClFN and a molecular weight of 350.70 g/mol. Its IUPAC name is 5-(4-bromo-5-chloro-2-fluorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name5-(4-bromo-5-chloro-2-fluorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine
PubChem CID105400317
Molecular FormulaC15H22BrClFN
Molecular Weight350.70 g/mol
Exact Mass349.06
IUPAC Name5-(4-bromo-5-chloro-2-fluorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine
SMILESCC(CCNC(C)C)CCc1cc(Cl)c(Br)cc1F
InChIInChI=1S/C15H22BrClFN/c1-10(2)19-7-6-11(3)4-5-12-8-14(17)13(16)9-15(12)18/h8-11,19H,4-7H2,1-3H3
InChIKeySFEWIDYYPBHYLL-UHFFFAOYSA-N
XLogP5.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.70
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-(4-bromo-5-chloro-2-fluorophenyl)-N-methylpentan-1-amine
CID 105400371
5-(4-chlorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine
CID 65304384
5-(3,4-difluorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine
CID 65304479
6-(4-bromo-5-chloro-2-fluorophenyl)-N-propylhexan-1-amine
CID 105400378
N-[2-(5-chloro-2-fluorophenyl)ethyl]propan-2-amine
CID 82471422
2-[1-[2-(4-bromo-5-chloro-2-fluorophenyl)ethyl]cyclohexyl]-N-methylethanamine
CID 105400316
5-(4-bromo-5-chloro-2-fluorophenyl)-N-tert-butyl-3,3-dimethylpentan-1-amine
CID 105400369
5-(4-fluoro-3-methylphenyl)-3-methyl-N-propan-2-ylpentan-1-amine
CID 79735912
3-(4-bromo-5-chloro-2-fluorophenyl)propanenitrile
CID 84807102
1-(4-bromo-5-chloro-2-fluorophenyl)-2-methyl-N-propylpentan-1-amine
CID 105399147
1-(4-bromo-5-chloro-2-fluorophenyl)-2-methyl-N-propylpropan-1-amine
CID 105399130
1-(4-bromo-5-chloro-2-fluorophenyl)propan-2-one
CID 84807670

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-5-chloro-2-fluorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine?
The IUPAC name of 5-(4-bromo-5-chloro-2-fluorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine (CID 105400317) is 5-(4-bromo-5-chloro-2-fluorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 5-(4-bromo-5-chloro-2-fluorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 5-(4-bromo-5-chloro-2-fluorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine is CC(CCNC(C)C)CCc1cc(Cl)c(Br)cc1F.
What is the InChIKey of 5-(4-bromo-5-chloro-2-fluorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine?
The InChIKey is SFEWIDYYPBHYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrClFN/c1-10(2)19-7-6-11(3)4-5-12-8-14(17)13(16)9-15(12)18/h8-11,19H,4-7H2,1-3H3.
What are the key properties of 5-(4-bromo-5-chloro-2-fluorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine?
5-(4-bromo-5-chloro-2-fluorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine has a molecular weight of 350.70 g/mol, XLogP of 5.20, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-5-chloro-2-fluorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 105400317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).