N-[2-(4-bromophenoxy)ethyl]-3-methylpentan-3-amine

C14H22BrNO — CID 106328670

IUPACN-[2-(4-bromophenoxy)ethyl]-3-methylpentan-3-amine
SMILESCCC(C)(CC)NCCOc1ccc(Br)cc1
InChIInChI=1S/C14H22BrNO/c1-4-14(3,5-2)16-10-11-17-13-8-6-12(15)7-9-13/h6-9,16H,4-5,10-11H2,1-3H3
InChIKeyGQDXKWAAWQAUSP-UHFFFAOYSA-N
MW300.24 g/mol
LogP4.00
Rot. Bonds7

About N-[2-(4-bromophenoxy)ethyl]-3-methylpentan-3-amine

N-[2-(4-bromophenoxy)ethyl]-3-methylpentan-3-amine (PubChem CID 106328670) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is N-[2-(4-bromophenoxy)ethyl]-3-methylpentan-3-amine.

Molecular Properties

Compound NameN-[2-(4-bromophenoxy)ethyl]-3-methylpentan-3-amine
PubChem CID106328670
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC NameN-[2-(4-bromophenoxy)ethyl]-3-methylpentan-3-amine
SMILESCCC(C)(CC)NCCOc1ccc(Br)cc1
InChIInChI=1S/C14H22BrNO/c1-4-14(3,5-2)16-10-11-17-13-8-6-12(15)7-9-13/h6-9,16H,4-5,10-11H2,1-3H3
InChIKeyGQDXKWAAWQAUSP-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
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-methoxyphenoxy)ethyl]-3-methylpentan-3-amine
CID 113253720
2-[2-(3-bromophenoxy)ethylamino]-2-methylbutan-1-ol
CID 64549139
N-[2-(4-bromophenoxy)ethyl]-3,3-dimethylbutan-1-amine
CID 62572745
N-[2-(4-bromophenoxy)ethyl]-3,3-dimethylbutan-2-amine
CID 113236178
2-[2-(4-bromophenoxy)ethylamino]-2-phenylpropan-1-ol
CID 115619649
4-(4-bromophenoxy)-N-tert-butyl-2,2-diethylbutan-1-amine
CID 63507256
3-(4-bromophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide
CID 64558336
4-[2-[(1-hydroxy-3-methylpentan-3-yl)amino]ethoxy]benzoic acid
CID 106178163
1-bromo-4-[2-(4-tert-butylphenoxy)ethoxy]benzene
CID 60627963
3-[2-(4-bromophenoxy)ethylamino]-2,2-dimethylpropan-1-ol
CID 113293890
2-[2-(4-bromophenoxy)ethylcarbamoylamino]-2-methylbutanoic acid
CID 60710409
4-(4-bromophenoxy)-N,2-diethyl-2-methylbutan-1-amine
CID 62726090

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenoxy)ethyl]-3-methylpentan-3-amine?
The IUPAC name of N-[2-(4-bromophenoxy)ethyl]-3-methylpentan-3-amine (CID 106328670) is N-[2-(4-bromophenoxy)ethyl]-3-methylpentan-3-amine.
What is the SMILES notation for N-[2-(4-bromophenoxy)ethyl]-3-methylpentan-3-amine?
The canonical SMILES for N-[2-(4-bromophenoxy)ethyl]-3-methylpentan-3-amine is CCC(C)(CC)NCCOc1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromophenoxy)ethyl]-3-methylpentan-3-amine?
The InChIKey is GQDXKWAAWQAUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-4-14(3,5-2)16-10-11-17-13-8-6-12(15)7-9-13/h6-9,16H,4-5,10-11H2,1-3H3.
What are the key properties of N-[2-(4-bromophenoxy)ethyl]-3-methylpentan-3-amine?
N-[2-(4-bromophenoxy)ethyl]-3-methylpentan-3-amine has a molecular weight of 300.24 g/mol, XLogP of 4.00, 7 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-methylpentan-3-amine is sourced from PubChem (CID 106328670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).