1-(4-bromo-2-chlorophenyl)-5-methoxy-4-methyl-N-propylpentan-2-amine

C16H25BrClNO — CID 105181737

IUPAC1-(4-bromo-2-chlorophenyl)-5-methoxy-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1ccc(Br)cc1Cl)CC(C)COC
InChIInChI=1S/C16H25BrClNO/c1-4-7-19-15(8-12(2)11-20-3)9-13-5-6-14(17)10-16(13)18/h5-6,10,12,15,19H,4,7-9,11H2,1-3H3
InChIKeyIVJMZQCCMWPJOJ-UHFFFAOYSA-N
MW362.74 g/mol
LogP4.69
Rot. Bonds9

About 1-(4-bromo-2-chlorophenyl)-5-methoxy-4-methyl-N-propylpentan-2-amine

1-(4-bromo-2-chlorophenyl)-5-methoxy-4-methyl-N-propylpentan-2-amine (PubChem CID 105181737) has the molecular formula C16H25BrClNO and a molecular weight of 362.74 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-5-methoxy-4-methyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-5-methoxy-4-methyl-N-propylpentan-2-amine
PubChem CID105181737
Molecular FormulaC16H25BrClNO
Molecular Weight362.74 g/mol
Exact Mass361.08
IUPAC Name1-(4-bromo-2-chlorophenyl)-5-methoxy-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1ccc(Br)cc1Cl)CC(C)COC
InChIInChI=1S/C16H25BrClNO/c1-4-7-19-15(8-12(2)11-20-3)9-13-5-6-14(17)10-16(13)18/h5-6,10,12,15,19H,4,7-9,11H2,1-3H3
InChIKeyIVJMZQCCMWPJOJ-UHFFFAOYSA-N
XLogP4.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.74
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine
CID 105181776
1-(3-chloro-2-fluorophenyl)-5-methoxy-4-methyl-N-propylpentan-2-amine
CID 102866601
1-(4-bromo-2-chlorophenyl)-N-ethyl-4-methoxypentan-2-amine
CID 113471311
N-[1-(4-bromo-2-chlorophenyl)-2-methoxyethyl]propan-1-amine
CID 105008686
1-(4-bromo-2-chlorophenyl)-3-methoxy-N-propylpentan-2-amine
CID 116716006
1-(4-bromo-2-chlorophenyl)-3,3-dimethyl-N-propylbutan-2-amine
CID 113471252
1-(2-chloro-4-methylphenyl)-5-methoxy-N-propylpentan-2-amine
CID 106866613
1-(5-bromo-2-fluorophenyl)-5-methoxy-N,4-dimethylpentan-2-amine
CID 105132287
[1-(4-bromo-2-chlorophenyl)-4-methoxybutan-2-yl]hydrazine
CID 105206418
1-(4-chloro-2-fluorophenyl)-N-ethyl-5-methoxy-4-methylpentan-2-amine
CID 105190411
N-[2-(4-bromo-2-chlorophenyl)-1-(3-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 105037954
N-[(4-bromo-2-chlorophenyl)methyl]-1-chloro-3-methoxypropan-2-amine
CID 106180570

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-5-methoxy-4-methyl-N-propylpentan-2-amine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-5-methoxy-4-methyl-N-propylpentan-2-amine (CID 105181737) is 1-(4-bromo-2-chlorophenyl)-5-methoxy-4-methyl-N-propylpentan-2-amine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-5-methoxy-4-methyl-N-propylpentan-2-amine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-5-methoxy-4-methyl-N-propylpentan-2-amine is CCCNC(Cc1ccc(Br)cc1Cl)CC(C)COC.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-5-methoxy-4-methyl-N-propylpentan-2-amine?
The InChIKey is IVJMZQCCMWPJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrClNO/c1-4-7-19-15(8-12(2)11-20-3)9-13-5-6-14(17)10-16(13)18/h5-6,10,12,15,19H,4,7-9,11H2,1-3H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-5-methoxy-4-methyl-N-propylpentan-2-amine?
1-(4-bromo-2-chlorophenyl)-5-methoxy-4-methyl-N-propylpentan-2-amine has a molecular weight of 362.74 g/mol, XLogP of 4.69, 9 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)-5-methoxy-4-methyl-N-propylpentan-2-amine is sourced from PubChem (CID 105181737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).