N-[2-(2-bromophenyl)-2-(2-methylpropoxy)ethyl]propan-1-amine

C15H24BrNO — CID 55036763

IUPACN-[2-(2-bromophenyl)-2-(2-methylpropoxy)ethyl]propan-1-amine
SMILESCCCNCC(OCC(C)C)c1ccccc1Br
InChIInChI=1S/C15H24BrNO/c1-4-9-17-10-15(18-11-12(2)3)13-7-5-6-8-14(13)16/h5-8,12,15,17H,4,9-11H2,1-3H3
InChIKeyHZMBBIPRBYWBDG-UHFFFAOYSA-N
MW314.27 g/mol
LogP4.16
Rot. Bonds8

About N-[2-(2-bromophenyl)-2-(2-methylpropoxy)ethyl]propan-1-amine

N-[2-(2-bromophenyl)-2-(2-methylpropoxy)ethyl]propan-1-amine (PubChem CID 55036763) has the molecular formula C15H24BrNO and a molecular weight of 314.27 g/mol. Its IUPAC name is N-[2-(2-bromophenyl)-2-(2-methylpropoxy)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-bromophenyl)-2-(2-methylpropoxy)ethyl]propan-1-amine
PubChem CID55036763
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC NameN-[2-(2-bromophenyl)-2-(2-methylpropoxy)ethyl]propan-1-amine
SMILESCCCNCC(OCC(C)C)c1ccccc1Br
InChIInChI=1S/C15H24BrNO/c1-4-9-17-10-15(18-11-12(2)3)13-7-5-6-8-14(13)16/h5-8,12,15,17H,4,9-11H2,1-3H3
InChIKeyHZMBBIPRBYWBDG-UHFFFAOYSA-N
XLogP4.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 54.16
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

N-[2-(2-bromophenyl)-2-(4-methylpentan-2-yloxy)ethyl]propan-1-amine
CID 63473525
N-[2-(2-bromophenyl)-2-pentan-2-yloxyethyl]propan-1-amine
CID 102984669
1-bromo-2-[2-bromo-1-(2-methylpropoxy)ethyl]benzene
CID 62112360
2-(2-bromophenyl)-N-ethyl-2-(2-propan-2-yloxyethoxy)ethanamine
CID 62108481
2-(2-bromophenyl)-6-methyl-N-propylheptan-1-amine
CID 83168332
2-(2-bromophenyl)-N-propylheptan-1-amine
CID 79449289
2-(2-bromophenyl)-3-methyl-N-propylhexan-1-amine
CID 114012929
2-(2-bromophenyl)-6-methoxy-N-propylhexan-1-amine
CID 104649517
N-[2-(2-chlorophenyl)-2-(4-methylpentoxy)ethyl]propan-1-amine
CID 63475898
2-(2-bromophenyl)-4-propoxy-N-propylbutan-1-amine
CID 106457201
2-(2-bromophenyl)-N-methyl-2-(4-methylpentoxy)ethanamine
CID 55036243
2-(2-bromophenyl)-2-(1-ethoxypropan-2-yloxy)-N-ethylethanamine
CID 103490191

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromophenyl)-2-(2-methylpropoxy)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-bromophenyl)-2-(2-methylpropoxy)ethyl]propan-1-amine (CID 55036763) is N-[2-(2-bromophenyl)-2-(2-methylpropoxy)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-bromophenyl)-2-(2-methylpropoxy)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-bromophenyl)-2-(2-methylpropoxy)ethyl]propan-1-amine is CCCNCC(OCC(C)C)c1ccccc1Br.
What is the InChIKey of N-[2-(2-bromophenyl)-2-(2-methylpropoxy)ethyl]propan-1-amine?
The InChIKey is HZMBBIPRBYWBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO/c1-4-9-17-10-15(18-11-12(2)3)13-7-5-6-8-14(13)16/h5-8,12,15,17H,4,9-11H2,1-3H3.
What are the key properties of N-[2-(2-bromophenyl)-2-(2-methylpropoxy)ethyl]propan-1-amine?
N-[2-(2-bromophenyl)-2-(2-methylpropoxy)ethyl]propan-1-amine has a molecular weight of 314.27 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromophenyl)-2-(2-methylpropoxy)ethyl]propan-1-amine is sourced from PubChem (CID 55036763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).