N-[(5-bromo-2-propoxyphenyl)methyl]hexan-2-amine

C16H26BrNO — CID 63479004

IUPACN-[(5-bromo-2-propoxyphenyl)methyl]hexan-2-amine
SMILESCCCCC(C)NCc1cc(Br)ccc1OCCC
InChIInChI=1S/C16H26BrNO/c1-4-6-7-13(3)18-12-14-11-15(17)8-9-16(14)19-10-5-2/h8-9,11,13,18H,4-7,10,12H2,1-3H3
InChIKeyOQBDTOPHWBYPLA-UHFFFAOYSA-N
MW328.29 g/mol
LogP4.91
Rot. Bonds9

About N-[(5-bromo-2-propoxyphenyl)methyl]hexan-2-amine

N-[(5-bromo-2-propoxyphenyl)methyl]hexan-2-amine (PubChem CID 63479004) has the molecular formula C16H26BrNO and a molecular weight of 328.29 g/mol. Its IUPAC name is N-[(5-bromo-2-propoxyphenyl)methyl]hexan-2-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-propoxyphenyl)methyl]hexan-2-amine
PubChem CID63479004
Molecular FormulaC16H26BrNO
Molecular Weight328.29 g/mol
Exact Mass327.12
IUPAC NameN-[(5-bromo-2-propoxyphenyl)methyl]hexan-2-amine
SMILESCCCCC(C)NCc1cc(Br)ccc1OCCC
InChIInChI=1S/C16H26BrNO/c1-4-6-7-13(3)18-12-14-11-15(17)8-9-16(14)19-10-5-2/h8-9,11,13,18H,4-7,10,12H2,1-3H3
InChIKeyOQBDTOPHWBYPLA-UHFFFAOYSA-N
XLogP4.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-propoxyphenyl)methyl]propan-2-amine
CID 29224796
(2R)-N-[(5-bromo-2-propoxyphenyl)methyl]-4-phenylbutan-2-amine
CID 29224851
N-[(5-bromo-2-methoxyphenyl)methyl]heptan-2-amine
CID 43398788
N-[(5-bromo-2-propoxyphenyl)methyl]-2-methylpentan-3-amine
CID 63453722
N-[(5-bromo-2-propoxyphenyl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 65047756
2-[(5-bromo-2-propoxyphenyl)methylamino]propane-1,3-diol
CID 65312603
1-(5-bromo-2-propoxyphenyl)-N-(2-methylpropoxy)methanamine
CID 82712779
1-(5-bromo-2-propoxyphenyl)-N-methoxymethanamine
CID 82706232
N-[[5-bromo-2-(3-methoxypropoxy)phenyl]methyl]propan-2-amine
CID 54935872
N-[(5-bromo-2-butoxyphenyl)methyl]propan-1-amine
CID 43277546
N-[(5-bromo-2-propoxyphenyl)methyl]-1-(1H-pyrazol-4-yl)ethanamine
CID 104953291
N-[(5-bromo-2-fluorophenyl)methyl]nonan-2-amine
CID 63455979

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-propoxyphenyl)methyl]hexan-2-amine?
The IUPAC name of N-[(5-bromo-2-propoxyphenyl)methyl]hexan-2-amine (CID 63479004) is N-[(5-bromo-2-propoxyphenyl)methyl]hexan-2-amine.
What is the SMILES notation for N-[(5-bromo-2-propoxyphenyl)methyl]hexan-2-amine?
The canonical SMILES for N-[(5-bromo-2-propoxyphenyl)methyl]hexan-2-amine is CCCCC(C)NCc1cc(Br)ccc1OCCC.
What is the InChIKey of N-[(5-bromo-2-propoxyphenyl)methyl]hexan-2-amine?
The InChIKey is OQBDTOPHWBYPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNO/c1-4-6-7-13(3)18-12-14-11-15(17)8-9-16(14)19-10-5-2/h8-9,11,13,18H,4-7,10,12H2,1-3H3.
What are the key properties of N-[(5-bromo-2-propoxyphenyl)methyl]hexan-2-amine?
N-[(5-bromo-2-propoxyphenyl)methyl]hexan-2-amine has a molecular weight of 328.29 g/mol, XLogP of 4.91, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-propoxyphenyl)methyl]hexan-2-amine is sourced from PubChem (CID 63479004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).