N-[2-(4-bromophenoxy)ethyl]-3,3-dimethylbutan-1-amine

C14H22BrNO — CID 62572745

IUPACN-[2-(4-bromophenoxy)ethyl]-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)CCNCCOc1ccc(Br)cc1
InChIInChI=1S/C14H22BrNO/c1-14(2,3)8-9-16-10-11-17-13-6-4-12(15)5-7-13/h4-7,16H,8-11H2,1-3H3
InChIKeyRTUFBNQDENYBJO-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.85
Rot. Bonds6

About N-[2-(4-bromophenoxy)ethyl]-3,3-dimethylbutan-1-amine

N-[2-(4-bromophenoxy)ethyl]-3,3-dimethylbutan-1-amine (PubChem CID 62572745) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is N-[2-(4-bromophenoxy)ethyl]-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[2-(4-bromophenoxy)ethyl]-3,3-dimethylbutan-1-amine
PubChem CID62572745
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC NameN-[2-(4-bromophenoxy)ethyl]-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)CCNCCOc1ccc(Br)cc1
InChIInChI=1S/C14H22BrNO/c1-14(2,3)8-9-16-10-11-17-13-6-4-12(15)5-7-13/h4-7,16H,8-11H2,1-3H3
InChIKeyRTUFBNQDENYBJO-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-ethylphenoxy)ethyl]-3,3-dimethylbutan-1-amine
CID 62572737
3-[2-(4-bromophenoxy)ethylamino]-2,2-dimethylpropan-1-ol
CID 113293890
N-[2-(4-bromo-2-fluorophenoxy)ethyl]-3,3-dimethylbutan-1-amine
CID 62599789
N-[2-(4-bromophenoxy)ethyl]-3-methylpentan-3-amine
CID 106328670
N-[2-(4-bromophenoxy)ethyl]-4-methylpentan-1-amine
CID 55195428
5-bromo-N-[2-(4-bromophenoxy)ethyl]pentan-1-amine
CID 107320366
N-[2-(4-bromophenoxy)ethyl]-3,3-dimethylbutan-2-amine
CID 113236178
N-[2-[4-(4-bromophenyl)phenoxy]ethyl]prop-2-yn-1-amine
CID 62597207
N-[2-(2,5-dibromo-4-methoxyphenoxy)ethyl]-3,3-dimethylbutan-1-amine
CID 79403943
2-(4-bromophenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 60685867
1-bromo-4-[2-(4-tert-butylphenoxy)ethoxy]benzene
CID 60627963
2-(4-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]ethanamine
CID 18793139

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenoxy)ethyl]-3,3-dimethylbutan-1-amine?
The IUPAC name of N-[2-(4-bromophenoxy)ethyl]-3,3-dimethylbutan-1-amine (CID 62572745) is N-[2-(4-bromophenoxy)ethyl]-3,3-dimethylbutan-1-amine.
What is the SMILES notation for N-[2-(4-bromophenoxy)ethyl]-3,3-dimethylbutan-1-amine?
The canonical SMILES for N-[2-(4-bromophenoxy)ethyl]-3,3-dimethylbutan-1-amine is CC(C)(C)CCNCCOc1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromophenoxy)ethyl]-3,3-dimethylbutan-1-amine?
The InChIKey is RTUFBNQDENYBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-14(2,3)8-9-16-10-11-17-13-6-4-12(15)5-7-13/h4-7,16H,8-11H2,1-3H3.
What are the key properties of N-[2-(4-bromophenoxy)ethyl]-3,3-dimethylbutan-1-amine?
N-[2-(4-bromophenoxy)ethyl]-3,3-dimethylbutan-1-amine has a molecular weight of 300.24 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenoxy)ethyl]-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 62572745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).