1-(4-bromo-5-chloro-2-fluorophenyl)-2-methyl-N-propylpentan-1-amine

C15H22BrClFN — CID 105399147

IUPAC1-(4-bromo-5-chloro-2-fluorophenyl)-2-methyl-N-propylpentan-1-amine
SMILESCCCNC(c1cc(Cl)c(Br)cc1F)C(C)CCC
InChIInChI=1S/C15H22BrClFN/c1-4-6-10(3)15(19-7-5-2)11-8-13(17)12(16)9-14(11)18/h8-10,15,19H,4-7H2,1-3H3
InChIKeyPCYJQTQVNAHJCX-UHFFFAOYSA-N
MW350.70 g/mol
LogP5.72
Rot. Bonds7

About 1-(4-bromo-5-chloro-2-fluorophenyl)-2-methyl-N-propylpentan-1-amine

1-(4-bromo-5-chloro-2-fluorophenyl)-2-methyl-N-propylpentan-1-amine (PubChem CID 105399147) has the molecular formula C15H22BrClFN and a molecular weight of 350.70 g/mol. Its IUPAC name is 1-(4-bromo-5-chloro-2-fluorophenyl)-2-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-5-chloro-2-fluorophenyl)-2-methyl-N-propylpentan-1-amine
PubChem CID105399147
Molecular FormulaC15H22BrClFN
Molecular Weight350.70 g/mol
Exact Mass349.06
IUPAC Name1-(4-bromo-5-chloro-2-fluorophenyl)-2-methyl-N-propylpentan-1-amine
SMILESCCCNC(c1cc(Cl)c(Br)cc1F)C(C)CCC
InChIInChI=1S/C15H22BrClFN/c1-4-6-10(3)15(19-7-5-2)11-8-13(17)12(16)9-14(11)18/h8-10,15,19H,4-7H2,1-3H3
InChIKeyPCYJQTQVNAHJCX-UHFFFAOYSA-N
XLogP5.72
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 ≤ 55.72
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

1-(4-bromo-5-chloro-2-fluorophenyl)-2-methyl-N-propylpropan-1-amine
CID 105399130
1-(4-bromo-5-chloro-2-fluorophenyl)-2-methylpentan-1-ol
CID 105399458
1-(2-chloro-5-fluorophenyl)-2-methyl-N-propylpentan-1-amine
CID 105396931
1-(2-chloro-4-fluorophenyl)-2-methyl-N-propylpentan-1-amine
CID 114013602
1-(4-bromo-5-chloro-2-fluorophenyl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 105399185
1-(4-bromo-5-chloro-2-fluorophenyl)-N-propylheptan-1-amine
CID 105399125
1-(4-bromo-5-chloro-2-fluorophenyl)-N-ethylbutan-1-amine
CID 105398979
1-(4-bromo-5-chloro-2-fluorophenyl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine
CID 105399126
1-(3-bromo-4-fluorophenyl)-2-methyl-N-propylpentan-1-amine
CID 79747198
1-(2-bromo-3,4-difluorophenyl)-2-methyl-N-propylpentan-1-amine
CID 107897004
N-[(4-bromo-5-chloro-2-fluorophenyl)-(4-methylthiophen-3-yl)methyl]propan-1-amine
CID 105399132
N-[7-bicyclo[4.1.0]heptanyl-(4-bromo-5-chloro-2-fluorophenyl)methyl]propan-1-amine
CID 105399168

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-chloro-2-fluorophenyl)-2-methyl-N-propylpentan-1-amine?
The IUPAC name of 1-(4-bromo-5-chloro-2-fluorophenyl)-2-methyl-N-propylpentan-1-amine (CID 105399147) is 1-(4-bromo-5-chloro-2-fluorophenyl)-2-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(4-bromo-5-chloro-2-fluorophenyl)-2-methyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(4-bromo-5-chloro-2-fluorophenyl)-2-methyl-N-propylpentan-1-amine is CCCNC(c1cc(Cl)c(Br)cc1F)C(C)CCC.
What is the InChIKey of 1-(4-bromo-5-chloro-2-fluorophenyl)-2-methyl-N-propylpentan-1-amine?
The InChIKey is PCYJQTQVNAHJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrClFN/c1-4-6-10(3)15(19-7-5-2)11-8-13(17)12(16)9-14(11)18/h8-10,15,19H,4-7H2,1-3H3.
What are the key properties of 1-(4-bromo-5-chloro-2-fluorophenyl)-2-methyl-N-propylpentan-1-amine?
1-(4-bromo-5-chloro-2-fluorophenyl)-2-methyl-N-propylpentan-1-amine has a molecular weight of 350.70 g/mol, XLogP of 5.72, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-chloro-2-fluorophenyl)-2-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 105399147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).