3-(4-bromophenyl)-2-methyl-N-propylpropan-1-amine

C13H20BrN — CID 62531086

IUPAC3-(4-bromophenyl)-2-methyl-N-propylpropan-1-amine
SMILESCCCNCC(C)Cc1ccc(Br)cc1
InChIInChI=1S/C13H20BrN/c1-3-8-15-10-11(2)9-12-4-6-13(14)7-5-12/h4-7,11,15H,3,8-10H2,1-2H3
InChIKeyMYQGPRVAOHOTCX-UHFFFAOYSA-N
MW270.21 g/mol
LogP3.63
Rot. Bonds6

About 3-(4-bromophenyl)-2-methyl-N-propylpropan-1-amine

3-(4-bromophenyl)-2-methyl-N-propylpropan-1-amine (PubChem CID 62531086) has the molecular formula C13H20BrN and a molecular weight of 270.21 g/mol. Its IUPAC name is 3-(4-bromophenyl)-2-methyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)-2-methyl-N-propylpropan-1-amine
PubChem CID62531086
Molecular FormulaC13H20BrN
Molecular Weight270.21 g/mol
Exact Mass269.08
IUPAC Name3-(4-bromophenyl)-2-methyl-N-propylpropan-1-amine
SMILESCCCNCC(C)Cc1ccc(Br)cc1
InChIInChI=1S/C13H20BrN/c1-3-8-15-10-11(2)9-12-4-6-13(14)7-5-12/h4-7,11,15H,3,8-10H2,1-2H3
InChIKeyMYQGPRVAOHOTCX-UHFFFAOYSA-N
XLogP3.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(4-bromophenyl)methyl]-3-methyl-N-propylhexan-1-amine
CID 107897173
3-(4-ethoxyphenyl)-2-methyl-N-propylpropan-1-amine
CID 64664768
2-methyl-3-(4-propan-2-yloxyphenyl)-N-propylpropan-1-amine
CID 64664347
3-(5-bromo-3-pyridinyl)-2-methyl-N-propylpropan-1-amine
CID 104810429
3-(4-bromophenyl)-2-phenyl-N-propylpropan-1-amine
CID 65429859
3-(5-bromo-2-fluorophenyl)-2-methyl-N-propylpropan-1-amine
CID 62529881
2-methyl-3-naphthalen-2-yl-N-propylpropan-1-amine
CID 64663925
3-(4-bromophenyl)-2-cyclopentyl-N-propylpropan-1-amine
CID 82932863
2-(4-bromophenyl)-3-(4-iodophenyl)-N-propylpropan-1-amine
CID 79431636
1,3-bis(4-bromophenyl)-N-propylpropan-2-amine
CID 60818661
2-methyl-4-(4-methylphenyl)-N-propylbutan-1-amine
CID 64664775
1-(4-bromophenyl)-4-methyl-N-propylheptan-2-amine
CID 55185468

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-2-methyl-N-propylpropan-1-amine?
The IUPAC name of 3-(4-bromophenyl)-2-methyl-N-propylpropan-1-amine (CID 62531086) is 3-(4-bromophenyl)-2-methyl-N-propylpropan-1-amine.
What is the SMILES notation for 3-(4-bromophenyl)-2-methyl-N-propylpropan-1-amine?
The canonical SMILES for 3-(4-bromophenyl)-2-methyl-N-propylpropan-1-amine is CCCNCC(C)Cc1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-2-methyl-N-propylpropan-1-amine?
The InChIKey is MYQGPRVAOHOTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN/c1-3-8-15-10-11(2)9-12-4-6-13(14)7-5-12/h4-7,11,15H,3,8-10H2,1-2H3.
What are the key properties of 3-(4-bromophenyl)-2-methyl-N-propylpropan-1-amine?
3-(4-bromophenyl)-2-methyl-N-propylpropan-1-amine has a molecular weight of 270.21 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-2-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 62531086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).