2-(2-bromophenyl)-N-methyl-4-propan-2-yloxybutan-1-amine

C14H22BrNO — CID 79449527

IUPAC2-(2-bromophenyl)-N-methyl-4-propan-2-yloxybutan-1-amine
SMILESCNCC(CCOC(C)C)c1ccccc1Br
InChIInChI=1S/C14H22BrNO/c1-11(2)17-9-8-12(10-16-3)13-6-4-5-7-14(13)15/h4-7,11-12,16H,8-10H2,1-3H3
InChIKeyJKMRNTVKTILWLT-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.57
Rot. Bonds7

About 2-(2-bromophenyl)-N-methyl-4-propan-2-yloxybutan-1-amine

2-(2-bromophenyl)-N-methyl-4-propan-2-yloxybutan-1-amine (PubChem CID 79449527) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-methyl-4-propan-2-yloxybutan-1-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-methyl-4-propan-2-yloxybutan-1-amine
PubChem CID79449527
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC Name2-(2-bromophenyl)-N-methyl-4-propan-2-yloxybutan-1-amine
SMILESCNCC(CCOC(C)C)c1ccccc1Br
InChIInChI=1S/C14H22BrNO/c1-11(2)17-9-8-12(10-16-3)13-6-4-5-7-14(13)15/h4-7,11-12,16H,8-10H2,1-3H3
InChIKeyJKMRNTVKTILWLT-UHFFFAOYSA-N
XLogP3.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-bromophenyl)-4-propan-2-yloxybutyl]cyclopropanamine
CID 79448847
2-(2-bromophenyl)-N-methyl-4-phenoxybutan-1-amine
CID 79449002
2-(2-bromophenyl)-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine
CID 104566805
2-(2-bromophenyl)-4-(3-methoxypropoxy)-N-methylbutan-1-amine
CID 103183720
2-(2-bromophenyl)-N-methylundecan-1-amine
CID 79448779
2-(2-methylphenyl)-N-(2-methylpropyl)-4-propan-2-yloxybutan-1-amine
CID 79421903
2-(2-bromophenyl)-N-methyl-2-(4-methylpentoxy)ethanamine
CID 55036243
2-(2-bromophenyl)-N-methyl-2-propan-2-yloxyethanamine
CID 62107661
2-(2-bromophenyl)-4-propoxy-N-propylbutan-1-amine
CID 106457201
2-(2-bromophenyl)-N-ethyl-2-(2-propan-2-yloxyethoxy)ethanamine
CID 62108481
2-(2-bromophenyl)-N-methyl-4-thiophen-3-ylbutan-1-amine
CID 79449305
2-(2-bromophenyl)-6-methyl-N-propylheptan-1-amine
CID 83168332

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-methyl-4-propan-2-yloxybutan-1-amine?
The IUPAC name of 2-(2-bromophenyl)-N-methyl-4-propan-2-yloxybutan-1-amine (CID 79449527) is 2-(2-bromophenyl)-N-methyl-4-propan-2-yloxybutan-1-amine.
What is the SMILES notation for 2-(2-bromophenyl)-N-methyl-4-propan-2-yloxybutan-1-amine?
The canonical SMILES for 2-(2-bromophenyl)-N-methyl-4-propan-2-yloxybutan-1-amine is CNCC(CCOC(C)C)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-N-methyl-4-propan-2-yloxybutan-1-amine?
The InChIKey is JKMRNTVKTILWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-11(2)17-9-8-12(10-16-3)13-6-4-5-7-14(13)15/h4-7,11-12,16H,8-10H2,1-3H3.
What are the key properties of 2-(2-bromophenyl)-N-methyl-4-propan-2-yloxybutan-1-amine?
2-(2-bromophenyl)-N-methyl-4-propan-2-yloxybutan-1-amine has a molecular weight of 300.24 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-N-methyl-4-propan-2-yloxybutan-1-amine is sourced from PubChem (CID 79449527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).