1-(4-bromo-2-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine

C16H25BrClNO — CID 105181776

IUPAC1-(4-bromo-2-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine
SMILESCCCNC(COC(C)(C)C)Cc1ccc(Br)cc1Cl
InChIInChI=1S/C16H25BrClNO/c1-5-8-19-14(11-20-16(2,3)4)9-12-6-7-13(17)10-15(12)18/h6-7,10,14,19H,5,8-9,11H2,1-4H3
InChIKeyBUMPMMKZXZOCNG-UHFFFAOYSA-N
MW362.74 g/mol
LogP4.83
Rot. Bonds7

About 1-(4-bromo-2-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine

1-(4-bromo-2-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine (PubChem CID 105181776) has the molecular formula C16H25BrClNO and a molecular weight of 362.74 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine
PubChem CID105181776
Molecular FormulaC16H25BrClNO
Molecular Weight362.74 g/mol
Exact Mass361.08
IUPAC Name1-(4-bromo-2-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine
SMILESCCCNC(COC(C)(C)C)Cc1ccc(Br)cc1Cl
InChIInChI=1S/C16H25BrClNO/c1-5-8-19-14(11-20-16(2,3)4)9-12-6-7-13(17)10-15(12)18/h6-7,10,14,19H,5,8-9,11H2,1-4H3
InChIKeyBUMPMMKZXZOCNG-UHFFFAOYSA-N
XLogP4.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.74
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-chlorophenyl)-3,3-dimethyl-N-propylbutan-2-amine
CID 113471252
1-(4-bromo-2-chlorophenyl)-5-methoxy-4-methyl-N-propylpentan-2-amine
CID 105181737
1-(3-bromothiophen-2-yl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine
CID 105139578
1-(4-bromo-2-chlorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine
CID 103029350
1-(4-bromo-2-chlorophenyl)-3-methoxy-N-propylpentan-2-amine
CID 116716006
1-(4-bromo-2-chlorophenyl)-4-(oxolan-2-yl)-N-propylbutan-2-amine
CID 105037671
1-(4-bromo-2-fluorophenyl)-3-propoxy-N-propylpropan-2-amine
CID 62603016
[1-(4-bromo-2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine
CID 105297513
1-(3,4-difluorophenyl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine
CID 105176044
1-(2-chloro-4-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine
CID 103025074
N-[2-(4-bromo-2-chlorophenyl)-1-(3-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 105037954
1-(4-bromo-2-chlorophenyl)-3-ethyl-N-propylheptan-2-amine
CID 105037738

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine (CID 105181776) is 1-(4-bromo-2-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine is CCCNC(COC(C)(C)C)Cc1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine?
The InChIKey is BUMPMMKZXZOCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrClNO/c1-5-8-19-14(11-20-16(2,3)4)9-12-6-7-13(17)10-15(12)18/h6-7,10,14,19H,5,8-9,11H2,1-4H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine?
1-(4-bromo-2-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine has a molecular weight of 362.74 g/mol, XLogP of 4.83, 7 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-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine is sourced from PubChem (CID 105181776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).