2-(2-bromophenyl)-6-methyl-N-propylheptan-1-amine

C17H28BrN — CID 83168332

IUPAC2-(2-bromophenyl)-6-methyl-N-propylheptan-1-amine
SMILESCCCNCC(CCCC(C)C)c1ccccc1Br
InChIInChI=1S/C17H28BrN/c1-4-12-19-13-15(9-7-8-14(2)3)16-10-5-6-11-17(16)18/h5-6,10-11,14-15,19H,4,7-9,12-13H2,1-3H3
InChIKeySYDUKMNNTKUFOL-UHFFFAOYSA-N
MW326.32 g/mol
LogP5.36
Rot. Bonds9

About 2-(2-bromophenyl)-6-methyl-N-propylheptan-1-amine

2-(2-bromophenyl)-6-methyl-N-propylheptan-1-amine (PubChem CID 83168332) has the molecular formula C17H28BrN and a molecular weight of 326.32 g/mol. Its IUPAC name is 2-(2-bromophenyl)-6-methyl-N-propylheptan-1-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)-6-methyl-N-propylheptan-1-amine
PubChem CID83168332
Molecular FormulaC17H28BrN
Molecular Weight326.32 g/mol
Exact Mass325.14
IUPAC Name2-(2-bromophenyl)-6-methyl-N-propylheptan-1-amine
SMILESCCCNCC(CCCC(C)C)c1ccccc1Br
InChIInChI=1S/C17H28BrN/c1-4-12-19-13-15(9-7-8-14(2)3)16-10-5-6-11-17(16)18/h5-6,10-11,14-15,19H,4,7-9,12-13H2,1-3H3
InChIKeySYDUKMNNTKUFOL-UHFFFAOYSA-N
XLogP5.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.32
LogP ≤ 55.36
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-(2-bromophenyl)-N-propylheptan-1-amine
CID 79449289
2-(2-bromophenyl)-6-methoxy-N-propylhexan-1-amine
CID 104649517
2-(2-bromophenyl)-5-ethoxy-N-propylpentan-1-amine
CID 79449363
2-(2-bromophenyl)-4-propoxy-N-propylbutan-1-amine
CID 106457201
2-(2-bromophenyl)-N-methylundecan-1-amine
CID 79448779
2-(2-bromophenyl)-6-methylheptan-1-ol
CID 83168026
2-[(2-bromophenyl)methyl]-6-methyl-N-propylheptan-1-amine
CID 83168303
2-(2-bromophenyl)-3-methyl-N-propylhexan-1-amine
CID 114012929
N-[2-(2-bromophenyl)-2-(2-methylpropoxy)ethyl]propan-1-amine
CID 55036763
2-(2-bromophenyl)-5-methyl-N-propan-2-ylhexan-1-amine
CID 79449223
2-(4-fluorophenyl)-6-methyl-N-propylheptan-1-amine
CID 83169177
N-[2-(2-bromophenyl)-2-pentan-2-yloxyethyl]propan-1-amine
CID 102984669

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-6-methyl-N-propylheptan-1-amine?
The IUPAC name of 2-(2-bromophenyl)-6-methyl-N-propylheptan-1-amine (CID 83168332) is 2-(2-bromophenyl)-6-methyl-N-propylheptan-1-amine.
What is the SMILES notation for 2-(2-bromophenyl)-6-methyl-N-propylheptan-1-amine?
The canonical SMILES for 2-(2-bromophenyl)-6-methyl-N-propylheptan-1-amine is CCCNCC(CCCC(C)C)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-6-methyl-N-propylheptan-1-amine?
The InChIKey is SYDUKMNNTKUFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrN/c1-4-12-19-13-15(9-7-8-14(2)3)16-10-5-6-11-17(16)18/h5-6,10-11,14-15,19H,4,7-9,12-13H2,1-3H3.
What are the key properties of 2-(2-bromophenyl)-6-methyl-N-propylheptan-1-amine?
2-(2-bromophenyl)-6-methyl-N-propylheptan-1-amine has a molecular weight of 326.32 g/mol, XLogP of 5.36, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-6-methyl-N-propylheptan-1-amine is sourced from PubChem (CID 83168332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).