1-(4-bromo-2-chlorophenyl)-3-methoxy-N-propylpentan-2-amine

C15H23BrClNO — CID 116716006

IUPAC1-(4-bromo-2-chlorophenyl)-3-methoxy-N-propylpentan-2-amine
SMILESCCCNC(Cc1ccc(Br)cc1Cl)C(CC)OC
InChIInChI=1S/C15H23BrClNO/c1-4-8-18-14(15(5-2)19-3)9-11-6-7-12(16)10-13(11)17/h6-7,10,14-15,18H,4-5,8-9H2,1-3H3
InChIKeyNIEKWFLPXIBMGO-UHFFFAOYSA-N
MW348.71 g/mol
LogP4.44
Rot. Bonds8

About 1-(4-bromo-2-chlorophenyl)-3-methoxy-N-propylpentan-2-amine

1-(4-bromo-2-chlorophenyl)-3-methoxy-N-propylpentan-2-amine (PubChem CID 116716006) has the molecular formula C15H23BrClNO and a molecular weight of 348.71 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-3-methoxy-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-3-methoxy-N-propylpentan-2-amine
PubChem CID116716006
Molecular FormulaC15H23BrClNO
Molecular Weight348.71 g/mol
Exact Mass347.07
IUPAC Name1-(4-bromo-2-chlorophenyl)-3-methoxy-N-propylpentan-2-amine
SMILESCCCNC(Cc1ccc(Br)cc1Cl)C(CC)OC
InChIInChI=1S/C15H23BrClNO/c1-4-8-18-14(15(5-2)19-3)9-11-6-7-12(16)10-13(11)17/h6-7,10,14-15,18H,4-5,8-9H2,1-3H3
InChIKeyNIEKWFLPXIBMGO-UHFFFAOYSA-N
XLogP4.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.71
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-chlorophenyl)-3-ethyl-N-propylheptan-2-amine
CID 105037738
1-(3-bromophenyl)-3-methoxy-N-propylpentan-2-amine
CID 116715984
1-(4-bromo-2-chlorophenyl)-3,3-dimethyl-N-propylbutan-2-amine
CID 113471252
1-(4-bromo-2-chlorophenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 116718017
1-(5-bromo-2-methoxyphenyl)-3-methoxy-N-propylhexan-2-amine
CID 116719357
1-(2-bromo-3-fluorophenyl)-3-methoxy-N-propylpentan-2-amine
CID 116715973
1-(4-bromo-2-chlorophenyl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine
CID 116724731
1-(4-bromo-2-chlorophenyl)-5-methoxy-4-methyl-N-propylpentan-2-amine
CID 105181737
1-(4-bromo-2-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine
CID 105181776
1-(2-chloro-4-methylphenyl)-3-ethoxy-N-propylhexan-2-amine
CID 106868796
1-(4-bromo-2-fluorophenyl)-3-methoxy-N-methylpentan-2-amine
CID 116715352
1-(2,3-difluorophenyl)-3-methoxy-N-propylpentan-2-amine
CID 116716158

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-methoxy-N-propylpentan-2-amine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-methoxy-N-propylpentan-2-amine (CID 116716006) is 1-(4-bromo-2-chlorophenyl)-3-methoxy-N-propylpentan-2-amine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-3-methoxy-N-propylpentan-2-amine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-3-methoxy-N-propylpentan-2-amine is CCCNC(Cc1ccc(Br)cc1Cl)C(CC)OC.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-3-methoxy-N-propylpentan-2-amine?
The InChIKey is NIEKWFLPXIBMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrClNO/c1-4-8-18-14(15(5-2)19-3)9-11-6-7-12(16)10-13(11)17/h6-7,10,14-15,18H,4-5,8-9H2,1-3H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-3-methoxy-N-propylpentan-2-amine?
1-(4-bromo-2-chlorophenyl)-3-methoxy-N-propylpentan-2-amine has a molecular weight of 348.71 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-3-methoxy-N-propylpentan-2-amine is sourced from PubChem (CID 116716006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).