1-(2-bromo-3-fluorophenyl)-N,3-dipropylhexan-2-amine

C18H29BrFN — CID 105020425

IUPAC1-(2-bromo-3-fluorophenyl)-N,3-dipropylhexan-2-amine
SMILESCCCNC(Cc1cccc(F)c1Br)C(CCC)CCC
InChIInChI=1S/C18H29BrFN/c1-4-8-14(9-5-2)17(21-12-6-3)13-15-10-7-11-16(20)18(15)19/h7,10-11,14,17,21H,4-6,8-9,12-13H2,1-3H3
InChIKeyJCCXJEATUOHFKZ-UHFFFAOYSA-N
MW358.34 g/mol
LogP5.72
Rot. Bonds10

About 1-(2-bromo-3-fluorophenyl)-N,3-dipropylhexan-2-amine

1-(2-bromo-3-fluorophenyl)-N,3-dipropylhexan-2-amine (PubChem CID 105020425) has the molecular formula C18H29BrFN and a molecular weight of 358.34 g/mol. Its IUPAC name is 1-(2-bromo-3-fluorophenyl)-N,3-dipropylhexan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-3-fluorophenyl)-N,3-dipropylhexan-2-amine
PubChem CID105020425
Molecular FormulaC18H29BrFN
Molecular Weight358.34 g/mol
Exact Mass357.15
IUPAC Name1-(2-bromo-3-fluorophenyl)-N,3-dipropylhexan-2-amine
SMILESCCCNC(Cc1cccc(F)c1Br)C(CCC)CCC
InChIInChI=1S/C18H29BrFN/c1-4-8-14(9-5-2)17(21-12-6-3)13-15-10-7-11-16(20)18(15)19/h7,10-11,14,17,21H,4-6,8-9,12-13H2,1-3H3
InChIKeyJCCXJEATUOHFKZ-UHFFFAOYSA-N
XLogP5.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.34
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-3-fluorophenyl)-3-methoxy-N-propylpentan-2-amine
CID 116715973
1-(2-bromo-3-fluorophenyl)-4-methylsulfanyl-N-propylbutan-2-amine
CID 105172057
1-(2-bromo-3-fluorophenyl)-4-propoxy-N-propylbutan-2-amine
CID 105172109
1-(2-chlorophenyl)-N,3-dipropylhexan-2-amine
CID 82986931
1-(2-bromo-3-fluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine
CID 105172212
N-[2-(2-bromo-3-fluorophenyl)-1-(3-bromothiophen-2-yl)ethyl]propan-1-amine
CID 105020455
N-[2-(2-bromo-3-fluorophenyl)-1-(2-bromofuran-3-yl)ethyl]propan-1-amine
CID 106858311
N-[2-(2-bromo-3-fluorophenyl)-1-(4,5-dibromothiophen-2-yl)ethyl]propan-1-amine
CID 105020320
N-[2-(2-bromo-3-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethyl]propan-1-amine
CID 107968822
1-(2,3-difluorophenyl)-3-ethoxy-N-propylhexan-2-amine
CID 116718406
1-(3-chloro-2-fluorophenyl)-N-ethyl-3-propylhexan-2-amine
CID 102867344
1-(2-bromo-3-fluorophenyl)-3-methylheptan-2-amine
CID 114246520

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-fluorophenyl)-N,3-dipropylhexan-2-amine?
The IUPAC name of 1-(2-bromo-3-fluorophenyl)-N,3-dipropylhexan-2-amine (CID 105020425) is 1-(2-bromo-3-fluorophenyl)-N,3-dipropylhexan-2-amine.
What is the SMILES notation for 1-(2-bromo-3-fluorophenyl)-N,3-dipropylhexan-2-amine?
The canonical SMILES for 1-(2-bromo-3-fluorophenyl)-N,3-dipropylhexan-2-amine is CCCNC(Cc1cccc(F)c1Br)C(CCC)CCC.
What is the InChIKey of 1-(2-bromo-3-fluorophenyl)-N,3-dipropylhexan-2-amine?
The InChIKey is JCCXJEATUOHFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29BrFN/c1-4-8-14(9-5-2)17(21-12-6-3)13-15-10-7-11-16(20)18(15)19/h7,10-11,14,17,21H,4-6,8-9,12-13H2,1-3H3.
What are the key properties of 1-(2-bromo-3-fluorophenyl)-N,3-dipropylhexan-2-amine?
1-(2-bromo-3-fluorophenyl)-N,3-dipropylhexan-2-amine has a molecular weight of 358.34 g/mol, XLogP of 5.72, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-fluorophenyl)-N,3-dipropylhexan-2-amine is sourced from PubChem (CID 105020425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).