N-[2-(2-bromophenoxy)propyl]-2-methylbutan-2-amine

C14H22BrNO — CID 62597428

IUPACN-[2-(2-bromophenoxy)propyl]-2-methylbutan-2-amine
SMILESCCC(C)(C)NCC(C)Oc1ccccc1Br
InChIInChI=1S/C14H22BrNO/c1-5-14(3,4)16-10-11(2)17-13-9-7-6-8-12(13)15/h6-9,11,16H,5,10H2,1-4H3
InChIKeyCPUTUEQWUMYSAK-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.99
Rot. Bonds6

About N-[2-(2-bromophenoxy)propyl]-2-methylbutan-2-amine

N-[2-(2-bromophenoxy)propyl]-2-methylbutan-2-amine (PubChem CID 62597428) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is N-[2-(2-bromophenoxy)propyl]-2-methylbutan-2-amine.

Molecular Properties

Compound NameN-[2-(2-bromophenoxy)propyl]-2-methylbutan-2-amine
PubChem CID62597428
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC NameN-[2-(2-bromophenoxy)propyl]-2-methylbutan-2-amine
SMILESCCC(C)(C)NCC(C)Oc1ccccc1Br
InChIInChI=1S/C14H22BrNO/c1-5-14(3,4)16-10-11(2)17-13-9-7-6-8-12(13)15/h6-9,11,16H,5,10H2,1-4H3
InChIKeyCPUTUEQWUMYSAK-UHFFFAOYSA-N
XLogP3.99
TPSA21.26 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 ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-methoxyphenoxy)propyl]-2-methylbutan-2-amine
CID 54852974
N-[2-(2-ethoxyphenoxy)propyl]-2-methylbutan-2-amine
CID 62572112
N-[(2S)-2-(2-bromophenoxy)propyl]ethanesulfonamide
CID 95972881
N-[2-(4-bromo-3,5-dimethylphenoxy)propyl]-2-methylbutan-2-amine
CID 107726655
2-methyl-N-[2-(3-propan-2-ylphenoxy)propyl]butan-2-amine
CID 55195324
2-amino-N-[2-(2-bromophenoxy)propyl]-3-methylpentanamide;hydrochloride
CID 119804711
4-(2-bromophenoxy)pentan-2-one
CID 64698957
1-bromo-2-[1-(2-bromophenoxy)propoxy]benzene
CID 69347469
2-methyl-N-(2-phenylpropyl)butan-2-amine
CID 17207092
1-[2-(2-bromophenoxy)propyl]-2-methyl-3-propan-2-ylguanidine;hydroiodide
CID 111968318
2-[2-(2-bromophenoxy)propanoylamino]-2-methylbutanoic acid
CID 119199829
3-amino-N-[2-(2-bromophenoxy)propyl]butanamide;hydrochloride
CID 119804713

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromophenoxy)propyl]-2-methylbutan-2-amine?
The IUPAC name of N-[2-(2-bromophenoxy)propyl]-2-methylbutan-2-amine (CID 62597428) is N-[2-(2-bromophenoxy)propyl]-2-methylbutan-2-amine.
What is the SMILES notation for N-[2-(2-bromophenoxy)propyl]-2-methylbutan-2-amine?
The canonical SMILES for N-[2-(2-bromophenoxy)propyl]-2-methylbutan-2-amine is CCC(C)(C)NCC(C)Oc1ccccc1Br.
What is the InChIKey of N-[2-(2-bromophenoxy)propyl]-2-methylbutan-2-amine?
The InChIKey is CPUTUEQWUMYSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-5-14(3,4)16-10-11(2)17-13-9-7-6-8-12(13)15/h6-9,11,16H,5,10H2,1-4H3.
What are the key properties of N-[2-(2-bromophenoxy)propyl]-2-methylbutan-2-amine?
N-[2-(2-bromophenoxy)propyl]-2-methylbutan-2-amine has a molecular weight of 300.24 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromophenoxy)propyl]-2-methylbutan-2-amine is sourced from PubChem (CID 62597428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).