1-(3-bromophenoxy)-N,5-dimethylhexan-3-amine

C14H22BrNO — CID 54971176

IUPAC1-(3-bromophenoxy)-N,5-dimethylhexan-3-amine
SMILESCNC(CCOc1cccc(Br)c1)CC(C)C
InChIInChI=1S/C14H22BrNO/c1-11(2)9-13(16-3)7-8-17-14-6-4-5-12(15)10-14/h4-6,10-11,13,16H,7-9H2,1-3H3
InChIKeyXIACQKGKMLMVJC-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.85
Rot. Bonds7

About 1-(3-bromophenoxy)-N,5-dimethylhexan-3-amine

1-(3-bromophenoxy)-N,5-dimethylhexan-3-amine (PubChem CID 54971176) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is 1-(3-bromophenoxy)-N,5-dimethylhexan-3-amine.

Molecular Properties

Compound Name1-(3-bromophenoxy)-N,5-dimethylhexan-3-amine
PubChem CID54971176
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC Name1-(3-bromophenoxy)-N,5-dimethylhexan-3-amine
SMILESCNC(CCOc1cccc(Br)c1)CC(C)C
InChIInChI=1S/C14H22BrNO/c1-11(2)9-13(16-3)7-8-17-14-6-4-5-12(15)10-14/h4-6,10-11,13,16H,7-9H2,1-3H3
InChIKeyXIACQKGKMLMVJC-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenoxy)-5-methoxy-N-methylpentan-3-amine
CID 54970505
N,5-dimethyl-1-phenoxyhexan-3-amine
CID 60799426
1-bromo-3-(4-methylpentoxy)benzene
CID 83156174
2-[2-(3-bromophenoxy)ethyl]-4-methyl-N-propan-2-ylpentan-1-amine
CID 63497455
1-(3-bromophenoxy)-N-ethylhexan-3-amine
CID 54970645
2-[2-(3-bromophenoxy)ethyl]-N-(2-methylpropyl)pentan-1-amine
CID 63521320
3-(3-bromophenoxy)-N-propan-2-ylpropan-1-amine
CID 29015667
5-(3-bromophenoxy)-N,3-diethylpentan-2-amine
CID 54971361
1-N'-[2-(3-bromophenoxy)ethyl]ethane-1,1-diamine
CID 163538279
N-[2-(3-bromophenoxy)ethyl]-N,4-dimethylpentan-2-amine
CID 63457662
N-(1-amino-4-methylpentan-2-yl)-3-(3-bromophenoxy)propanamide;hydrochloride
CID 119586507
(1R)-N-[2-(3-bromophenoxy)ethyl]-1-(3-bromophenyl)ethanamine
CID 81381208

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenoxy)-N,5-dimethylhexan-3-amine?
The IUPAC name of 1-(3-bromophenoxy)-N,5-dimethylhexan-3-amine (CID 54971176) is 1-(3-bromophenoxy)-N,5-dimethylhexan-3-amine.
What is the SMILES notation for 1-(3-bromophenoxy)-N,5-dimethylhexan-3-amine?
The canonical SMILES for 1-(3-bromophenoxy)-N,5-dimethylhexan-3-amine is CNC(CCOc1cccc(Br)c1)CC(C)C.
What is the InChIKey of 1-(3-bromophenoxy)-N,5-dimethylhexan-3-amine?
The InChIKey is XIACQKGKMLMVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-11(2)9-13(16-3)7-8-17-14-6-4-5-12(15)10-14/h4-6,10-11,13,16H,7-9H2,1-3H3.
What are the key properties of 1-(3-bromophenoxy)-N,5-dimethylhexan-3-amine?
1-(3-bromophenoxy)-N,5-dimethylhexan-3-amine has a molecular weight of 300.24 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenoxy)-N,5-dimethylhexan-3-amine is sourced from PubChem (CID 54971176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).