3-(5-bromo-2-methoxyphenyl)-2-methyl-N-propan-2-ylpropan-1-amine

C14H22BrNO — CID 62530686

IUPAC3-(5-bromo-2-methoxyphenyl)-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCOc1ccc(Br)cc1CC(C)CNC(C)C
InChIInChI=1S/C14H22BrNO/c1-10(2)16-9-11(3)7-12-8-13(15)5-6-14(12)17-4/h5-6,8,10-11,16H,7,9H2,1-4H3
InChIKeyMSPFRFPCBMRNSJ-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.63
Rot. Bonds6

About 3-(5-bromo-2-methoxyphenyl)-2-methyl-N-propan-2-ylpropan-1-amine

3-(5-bromo-2-methoxyphenyl)-2-methyl-N-propan-2-ylpropan-1-amine (PubChem CID 62530686) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is 3-(5-bromo-2-methoxyphenyl)-2-methyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(5-bromo-2-methoxyphenyl)-2-methyl-N-propan-2-ylpropan-1-amine
PubChem CID62530686
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC Name3-(5-bromo-2-methoxyphenyl)-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCOc1ccc(Br)cc1CC(C)CNC(C)C
InChIInChI=1S/C14H22BrNO/c1-10(2)16-9-11(3)7-12-8-13(15)5-6-14(12)17-4/h5-6,8,10-11,16H,7,9H2,1-4H3
InChIKeyMSPFRFPCBMRNSJ-UHFFFAOYSA-N
XLogP3.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methoxy-5-methylphenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62529285
4-bromo-2-(3-chloro-2-methylpropyl)-1-methoxybenzene
CID 66033395
4-(5-bromo-2-methoxyphenyl)-3-methylbutan-1-amine
CID 81013850
3-(3-bromo-4-methoxyphenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62530687
1-(5-bromo-2-methoxyphenyl)propan-2-amine
CID 43141128
N-[2-[(5-bromo-2-methoxyphenyl)methoxy]ethyl]propan-2-amine
CID 62342039
N-[4-(5-bromo-2-methoxyphenyl)-3-methylbutyl]cyclopropanamine
CID 81018729
4-(2-methoxy-5-methylphenyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 81015516
1-(5-bromo-2-methoxyphenyl)-4,4-dimethylpentan-2-amine
CID 63892579
1-(5-bromo-2-methoxyphenyl)-N-ethyl-3,4-dimethylpentan-2-amine
CID 115817634
1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115817615
4-bromo-1-methoxy-2-(2-methylbut-3-enyl)benzene
CID 83933802

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-methoxyphenyl)-2-methyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(5-bromo-2-methoxyphenyl)-2-methyl-N-propan-2-ylpropan-1-amine (CID 62530686) is 3-(5-bromo-2-methoxyphenyl)-2-methyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(5-bromo-2-methoxyphenyl)-2-methyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(5-bromo-2-methoxyphenyl)-2-methyl-N-propan-2-ylpropan-1-amine is COc1ccc(Br)cc1CC(C)CNC(C)C.
What is the InChIKey of 3-(5-bromo-2-methoxyphenyl)-2-methyl-N-propan-2-ylpropan-1-amine?
The InChIKey is MSPFRFPCBMRNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-10(2)16-9-11(3)7-12-8-13(15)5-6-14(12)17-4/h5-6,8,10-11,16H,7,9H2,1-4H3.
What are the key properties of 3-(5-bromo-2-methoxyphenyl)-2-methyl-N-propan-2-ylpropan-1-amine?
3-(5-bromo-2-methoxyphenyl)-2-methyl-N-propan-2-ylpropan-1-amine has a molecular weight of 300.24 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-methoxyphenyl)-2-methyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 62530686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).