3-[[(2-bromophenyl)methyl-methylamino]methyl]pentan-3-ol

C14H22BrNO — CID 113353894

IUPAC3-[[(2-bromophenyl)methyl-methylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CN(C)Cc1ccccc1Br
InChIInChI=1S/C14H22BrNO/c1-4-14(17,5-2)11-16(3)10-12-8-6-7-9-13(12)15/h6-9,17H,4-5,10-11H2,1-3H3
InChIKeyLIFCZODRXGXPGA-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.43
Rot. Bonds6

About 3-[[(2-bromophenyl)methyl-methylamino]methyl]pentan-3-ol

3-[[(2-bromophenyl)methyl-methylamino]methyl]pentan-3-ol (PubChem CID 113353894) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is 3-[[(2-bromophenyl)methyl-methylamino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[(2-bromophenyl)methyl-methylamino]methyl]pentan-3-ol
PubChem CID113353894
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC Name3-[[(2-bromophenyl)methyl-methylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CN(C)Cc1ccccc1Br
InChIInChI=1S/C14H22BrNO/c1-4-14(17,5-2)11-16(3)10-12-8-6-7-9-13(12)15/h6-9,17H,4-5,10-11H2,1-3H3
InChIKeyLIFCZODRXGXPGA-UHFFFAOYSA-N
XLogP3.43
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(2-bromophenyl)methyl-methylamino]methyl]-2-methylpentan-1-ol
CID 55055281
N-[(2-bromophenyl)methyl]-N-methylpropan-1-amine
CID 60776921
N-[(2-bromophenyl)methyl]-N-methylhydroxylamine
CID 82613877
N-[(2-bromophenyl)methyl]-1-(2-chlorophenyl)-N-methylmethanamine
CID 60646435
methyl 3-[(2-bromophenyl)methyl-methylamino]-2,2-dimethylpropanoate
CID 79619948
1-[(2-bromophenyl)methyl-methylamino]butan-2-ol
CID 61416488
N-[(2-bromophenyl)methyl]-2-ethoxy-N-methylethanamine
CID 78914332
N-[(2-bromophenyl)methyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylacetamide
CID 78964341
N-[(2-bromophenyl)methyl]-N,2,2-trimethylbutanamide
CID 55102721
3-[(2-bromophenyl)methyl-methylamino]-1,1,1-trifluoropropan-2-ol
CID 63901849
1-(4-bromophenyl)-N-[(2-bromophenyl)methyl]-N-methylmethanamine
CID 60646410
N-[(2-bromophenyl)methyl]-N-methylprop-2-yn-1-amine
CID 13430

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-bromophenyl)methyl-methylamino]methyl]pentan-3-ol?
The IUPAC name of 3-[[(2-bromophenyl)methyl-methylamino]methyl]pentan-3-ol (CID 113353894) is 3-[[(2-bromophenyl)methyl-methylamino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[(2-bromophenyl)methyl-methylamino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[(2-bromophenyl)methyl-methylamino]methyl]pentan-3-ol is CCC(O)(CC)CN(C)Cc1ccccc1Br.
What is the InChIKey of 3-[[(2-bromophenyl)methyl-methylamino]methyl]pentan-3-ol?
The InChIKey is LIFCZODRXGXPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-4-14(17,5-2)11-16(3)10-12-8-6-7-9-13(12)15/h6-9,17H,4-5,10-11H2,1-3H3.
What are the key properties of 3-[[(2-bromophenyl)methyl-methylamino]methyl]pentan-3-ol?
3-[[(2-bromophenyl)methyl-methylamino]methyl]pentan-3-ol has a molecular weight of 300.24 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-bromophenyl)methyl-methylamino]methyl]pentan-3-ol is sourced from PubChem (CID 113353894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).