2-(3-bromophenyl)-5-methoxypentan-1-amine

C12H18BrNO — CID 79442544

IUPAC2-(3-bromophenyl)-5-methoxypentan-1-amine
SMILESCOCCCC(CN)c1cccc(Br)c1
InChIInChI=1S/C12H18BrNO/c1-15-7-3-5-11(9-14)10-4-2-6-12(13)8-10/h2,4,6,8,11H,3,5,7,9,14H2,1H3
InChIKeyJPWBURHFDZCJMA-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.92
Rot. Bonds6

About 2-(3-bromophenyl)-5-methoxypentan-1-amine

2-(3-bromophenyl)-5-methoxypentan-1-amine (PubChem CID 79442544) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is 2-(3-bromophenyl)-5-methoxypentan-1-amine.

Molecular Properties

Compound Name2-(3-bromophenyl)-5-methoxypentan-1-amine
PubChem CID79442544
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name2-(3-bromophenyl)-5-methoxypentan-1-amine
SMILESCOCCCC(CN)c1cccc(Br)c1
InChIInChI=1S/C12H18BrNO/c1-15-7-3-5-11(9-14)10-4-2-6-12(13)8-10/h2,4,6,8,11H,3,5,7,9,14H2,1H3
InChIKeyJPWBURHFDZCJMA-UHFFFAOYSA-N
XLogP2.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromophenyl)-5-ethoxypentan-1-amine
CID 79442547
2-(3-bromophenyl)-N-ethyl-5-methoxypentan-1-amine
CID 79442906
2-(3-bromophenyl)-4-phenoxybutan-1-amine
CID 79442992
2-(3-chlorophenyl)-5-(2-methoxyethoxy)pentan-1-amine
CID 103412633
N-[2-(3-bromophenyl)-6-methoxyhexyl]cyclopropanamine
CID 104649495
2-(3-chlorophenyl)-4-methoxybutan-1-amine
CID 79443641
(4S)-5-amino-4-(3-bromophenyl)pentan-2-one
CID 166707434
2-(3-chlorophenyl)-4-(3-methoxypropoxy)butan-1-amine
CID 103183699
2-(3-bromophenyl)-N'-methylpropane-1,3-diamine
CID 20546518
2-(4-bromophenyl)-4-methoxybutan-1-amine
CID 79441671
2-(3-bromophenyl)-4-ethylhexan-1-amine
CID 82929806
N-[(1R)-1-(3-bromophenyl)ethyl]-3-methoxypropan-1-amine
CID 28673434

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-5-methoxypentan-1-amine?
The IUPAC name of 2-(3-bromophenyl)-5-methoxypentan-1-amine (CID 79442544) is 2-(3-bromophenyl)-5-methoxypentan-1-amine.
What is the SMILES notation for 2-(3-bromophenyl)-5-methoxypentan-1-amine?
The canonical SMILES for 2-(3-bromophenyl)-5-methoxypentan-1-amine is COCCCC(CN)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-5-methoxypentan-1-amine?
The InChIKey is JPWBURHFDZCJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-15-7-3-5-11(9-14)10-4-2-6-12(13)8-10/h2,4,6,8,11H,3,5,7,9,14H2,1H3.
What are the key properties of 2-(3-bromophenyl)-5-methoxypentan-1-amine?
2-(3-bromophenyl)-5-methoxypentan-1-amine has a molecular weight of 272.19 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-5-methoxypentan-1-amine is sourced from PubChem (CID 79442544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).