2-(2-bromophenyl)-6-methoxy-N-propylhexan-1-amine

C16H26BrNO — CID 104649517

IUPAC2-(2-bromophenyl)-6-methoxy-N-propylhexan-1-amine
SMILESCCCNCC(CCCCOC)c1ccccc1Br
InChIInChI=1S/C16H26BrNO/c1-3-11-18-13-14(8-6-7-12-19-2)15-9-4-5-10-16(15)17/h4-5,9-10,14,18H,3,6-8,11-13H2,1-2H3
InChIKeyWHUOTOSYCUILHD-UHFFFAOYSA-N
MW328.29 g/mol
LogP4.35
Rot. Bonds10

About 2-(2-bromophenyl)-6-methoxy-N-propylhexan-1-amine

2-(2-bromophenyl)-6-methoxy-N-propylhexan-1-amine (PubChem CID 104649517) has the molecular formula C16H26BrNO and a molecular weight of 328.29 g/mol. Its IUPAC name is 2-(2-bromophenyl)-6-methoxy-N-propylhexan-1-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)-6-methoxy-N-propylhexan-1-amine
PubChem CID104649517
Molecular FormulaC16H26BrNO
Molecular Weight328.29 g/mol
Exact Mass327.12
IUPAC Name2-(2-bromophenyl)-6-methoxy-N-propylhexan-1-amine
SMILESCCCNCC(CCCCOC)c1ccccc1Br
InChIInChI=1S/C16H26BrNO/c1-3-11-18-13-14(8-6-7-12-19-2)15-9-4-5-10-16(15)17/h4-5,9-10,14,18H,3,6-8,11-13H2,1-2H3
InChIKeyWHUOTOSYCUILHD-UHFFFAOYSA-N
XLogP4.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 54.35
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-(2-bromophenyl)-N-propylheptan-1-amine
CID 79449289
2-(2-bromophenyl)-5-ethoxy-N-propylpentan-1-amine
CID 79449363
2-(2-bromophenyl)-6-methyl-N-propylheptan-1-amine
CID 83168332
2-(2-bromophenyl)-4-propoxy-N-propylbutan-1-amine
CID 106457201
2-(2-fluorophenyl)-5-methoxy-N-propylpentan-1-amine
CID 79439292
1-bromo-2-(1-bromo-6-methoxyhexan-2-yl)benzene
CID 104650740
2-(2-bromophenyl)-4-ethylsulfonyl-N-(2-methoxyethyl)butan-1-amine
CID 79436776
2-(2-bromophenyl)-4-(3-methoxypropoxy)-N-methylbutan-1-amine
CID 103183720
2-(2-bromophenyl)-N-methylundecan-1-amine
CID 79448779
2-(4-chlorophenyl)-6-methoxy-N-propylhexan-1-amine
CID 104649470
6-methoxy-2-(3-methylphenyl)-N-propylhexan-1-amine
CID 104649439
2-(2-bromophenyl)-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine
CID 104566805

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-6-methoxy-N-propylhexan-1-amine?
The IUPAC name of 2-(2-bromophenyl)-6-methoxy-N-propylhexan-1-amine (CID 104649517) is 2-(2-bromophenyl)-6-methoxy-N-propylhexan-1-amine.
What is the SMILES notation for 2-(2-bromophenyl)-6-methoxy-N-propylhexan-1-amine?
The canonical SMILES for 2-(2-bromophenyl)-6-methoxy-N-propylhexan-1-amine is CCCNCC(CCCCOC)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-6-methoxy-N-propylhexan-1-amine?
The InChIKey is WHUOTOSYCUILHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNO/c1-3-11-18-13-14(8-6-7-12-19-2)15-9-4-5-10-16(15)17/h4-5,9-10,14,18H,3,6-8,11-13H2,1-2H3.
What are the key properties of 2-(2-bromophenyl)-6-methoxy-N-propylhexan-1-amine?
2-(2-bromophenyl)-6-methoxy-N-propylhexan-1-amine has a molecular weight of 328.29 g/mol, XLogP of 4.35, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-6-methoxy-N-propylhexan-1-amine is sourced from PubChem (CID 104649517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).