2-(2-bromophenyl)-N-methylundecan-1-amine

C18H30BrN — CID 79448779

IUPAC2-(2-bromophenyl)-N-methylundecan-1-amine
SMILESCCCCCCCCCC(CNC)c1ccccc1Br
InChIInChI=1S/C18H30BrN/c1-3-4-5-6-7-8-9-12-16(15-20-2)17-13-10-11-14-18(17)19/h10-11,13-14,16,20H,3-9,12,15H2,1-2H3
InChIKeyHHGWEOPKULOHNU-UHFFFAOYSA-N
MW340.35 g/mol
LogP5.89
Rot. Bonds11

About 2-(2-bromophenyl)-N-methylundecan-1-amine

2-(2-bromophenyl)-N-methylundecan-1-amine (PubChem CID 79448779) has the molecular formula C18H30BrN and a molecular weight of 340.35 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-methylundecan-1-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-methylundecan-1-amine
PubChem CID79448779
Molecular FormulaC18H30BrN
Molecular Weight340.35 g/mol
Exact Mass339.16
IUPAC Name2-(2-bromophenyl)-N-methylundecan-1-amine
SMILESCCCCCCCCCC(CNC)c1ccccc1Br
InChIInChI=1S/C18H30BrN/c1-3-4-5-6-7-8-9-12-16(15-20-2)17-13-10-11-14-18(17)19/h10-11,13-14,16,20H,3-9,12,15H2,1-2H3
InChIKeyHHGWEOPKULOHNU-UHFFFAOYSA-N
XLogP5.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.35
LogP ≤ 55.89
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
1-bromo-2-(1-bromooctan-2-yl)benzene
CID 79454494
2-(2-fluorophenyl)-N-methyldodecan-1-amine
CID 79435505
2-(2-bromophenyl)-6-methyl-N-propylheptan-1-amine
CID 83168332
1-(2-bromophenyl)-N-methylhexan-1-amine
CID 62602989
1-bromo-2-[(2R)-nonan-2-yl]benzene
CID 139715975
2-(2-bromophenyl)-6-methoxy-N-propylhexan-1-amine
CID 104649517
2-(2-bromophenyl)-N-methyl-4-propan-2-yloxybutan-1-amine
CID 79449527
1-bromo-2-heptan-2-ylbenzene
CID 59216916
2-(2-bromophenyl)-N-methyl-4-phenoxybutan-1-amine
CID 79449002
2-(2-bromophenyl)-4-(3-methoxypropoxy)-N-methylbutan-1-amine
CID 103183720
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)-N-methylundecan-1-amine?
The IUPAC name of 2-(2-bromophenyl)-N-methylundecan-1-amine (CID 79448779) is 2-(2-bromophenyl)-N-methylundecan-1-amine.
What is the SMILES notation for 2-(2-bromophenyl)-N-methylundecan-1-amine?
The canonical SMILES for 2-(2-bromophenyl)-N-methylundecan-1-amine is CCCCCCCCCC(CNC)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-N-methylundecan-1-amine?
The InChIKey is HHGWEOPKULOHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30BrN/c1-3-4-5-6-7-8-9-12-16(15-20-2)17-13-10-11-14-18(17)19/h10-11,13-14,16,20H,3-9,12,15H2,1-2H3.
What are the key properties of 2-(2-bromophenyl)-N-methylundecan-1-amine?
2-(2-bromophenyl)-N-methylundecan-1-amine has a molecular weight of 340.35 g/mol, XLogP of 5.89, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-N-methylundecan-1-amine is sourced from PubChem (CID 79448779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).