N-[2-(4-bromophenoxy)ethyl]-1-(2-methylphenyl)ethanamine

C17H20BrNO — CID 63490336

IUPACN-[2-(4-bromophenoxy)ethyl]-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1C(C)NCCOc1ccc(Br)cc1
InChIInChI=1S/C17H20BrNO/c1-13-5-3-4-6-17(13)14(2)19-11-12-20-16-9-7-15(18)8-10-16/h3-10,14,19H,11-12H2,1-2H3
InChIKeyATWFGTQOYLWSDS-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.49
Rot. Bonds6

About N-[2-(4-bromophenoxy)ethyl]-1-(2-methylphenyl)ethanamine

N-[2-(4-bromophenoxy)ethyl]-1-(2-methylphenyl)ethanamine (PubChem CID 63490336) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is N-[2-(4-bromophenoxy)ethyl]-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-[2-(4-bromophenoxy)ethyl]-1-(2-methylphenyl)ethanamine
PubChem CID63490336
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC NameN-[2-(4-bromophenoxy)ethyl]-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1C(C)NCCOc1ccc(Br)cc1
InChIInChI=1S/C17H20BrNO/c1-13-5-3-4-6-17(13)14(2)19-11-12-20-16-9-7-15(18)8-10-16/h3-10,14,19H,11-12H2,1-2H3
InChIKeyATWFGTQOYLWSDS-UHFFFAOYSA-N
XLogP4.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.49
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

(1R)-N-[2-(4-bromophenoxy)ethyl]-1-(2-chlorophenyl)ethanamine
CID 81379643
(1R)-N-[2-(4-bromophenoxy)ethyl]-1-(2-methoxyphenyl)ethanamine
CID 81390396
(1S)-N-[2-(4-bromophenoxy)ethyl]-1-thiophen-2-ylethanamine
CID 81408946
N-[(1R)-1-(2-bromophenyl)ethyl]-3-phenoxypropan-1-amine
CID 81383584
N-[1-(2,4-dibromophenyl)ethyl]-3-phenoxypropan-1-amine
CID 63478861
(1S)-N-[(5-bromo-2-pyridinyl)methyl]-1-(2-methylphenyl)ethanamine
CID 81375023
N-[2-(4-bromophenoxy)ethyl]-1-(3-chlorophenyl)ethanamine
CID 63491866
N-[2-(4-bromophenoxy)ethyl]-3,3-dimethylbutan-2-amine
CID 113236178
N-[2-(4-bromophenoxy)ethyl]-1-methoxypropan-2-amine
CID 60688516
N-[1-(2-methylphenyl)ethyl]-3-propoxypropan-1-amine
CID 82941407
(1S)-N-[2-(3-bromophenoxy)ethyl]-1-(2-chlorophenyl)ethanamine
CID 81378313
4-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]butan-1-amine
CID 104647527

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenoxy)ethyl]-1-(2-methylphenyl)ethanamine?
The IUPAC name of N-[2-(4-bromophenoxy)ethyl]-1-(2-methylphenyl)ethanamine (CID 63490336) is N-[2-(4-bromophenoxy)ethyl]-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for N-[2-(4-bromophenoxy)ethyl]-1-(2-methylphenyl)ethanamine?
The canonical SMILES for N-[2-(4-bromophenoxy)ethyl]-1-(2-methylphenyl)ethanamine is Cc1ccccc1C(C)NCCOc1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromophenoxy)ethyl]-1-(2-methylphenyl)ethanamine?
The InChIKey is ATWFGTQOYLWSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-13-5-3-4-6-17(13)14(2)19-11-12-20-16-9-7-15(18)8-10-16/h3-10,14,19H,11-12H2,1-2H3.
What are the key properties of N-[2-(4-bromophenoxy)ethyl]-1-(2-methylphenyl)ethanamine?
N-[2-(4-bromophenoxy)ethyl]-1-(2-methylphenyl)ethanamine has a molecular weight of 334.26 g/mol, XLogP of 4.49, 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]-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 63490336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).