[4-bromo-2-(4-ethylphenoxy)phenyl]methanamine

C15H16BrNO — CID 43364972

IUPAC[4-bromo-2-(4-ethylphenoxy)phenyl]methanamine
SMILESCCc1ccc(Oc2cc(Br)ccc2CN)cc1
InChIInChI=1S/C15H16BrNO/c1-2-11-3-7-14(8-4-11)18-15-9-13(16)6-5-12(15)10-17/h3-9H,2,10,17H2,1H3
InChIKeyGAOSJGHDFMJQBE-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.26
Rot. Bonds4

About [4-bromo-2-(4-ethylphenoxy)phenyl]methanamine

[4-bromo-2-(4-ethylphenoxy)phenyl]methanamine (PubChem CID 43364972) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is [4-bromo-2-(4-ethylphenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[4-bromo-2-(4-ethylphenoxy)phenyl]methanamine
PubChem CID43364972
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name[4-bromo-2-(4-ethylphenoxy)phenyl]methanamine
SMILESCCc1ccc(Oc2cc(Br)ccc2CN)cc1
InChIInChI=1S/C15H16BrNO/c1-2-11-3-7-14(8-4-11)18-15-9-13(16)6-5-12(15)10-17/h3-9H,2,10,17H2,1H3
InChIKeyGAOSJGHDFMJQBE-UHFFFAOYSA-N
XLogP4.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-bromo-2-[4-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 114900818
(4-bromo-2-naphthalen-2-yloxyphenyl)methanamine
CID 43364990
[4-bromo-2-(3,5-dichlorophenoxy)phenyl]methanamine
CID 43622057
2-(aminomethyl)-5-bromo-N-(4-ethylphenyl)-N-methylaniline
CID 55221393
[4-bromo-2-(3-methyl-4-nitrophenoxy)phenyl]methanamine
CID 61030911
2-[4-[2-(aminomethyl)-4-bromophenoxy]phenyl]ethanol
CID 107708359
[4-bromo-2-(4-bromo-2-fluorophenoxy)phenyl]methanamine
CID 43365001
[4-(4-ethylphenoxy)-3-pyridinyl]methanamine
CID 81250347
[4-[2-(aminomethyl)-5-methylphenoxy]phenyl]methanol
CID 62306971
2-[4-bromo-2-(4-propan-2-ylphenoxy)phenyl]ethanamine
CID 63817335
4-(4-bromo-2-ethylphenoxy)aniline
CID 22688224
[3-(4-bromophenoxy)-4-methylphenyl]methanamine
CID 105406673

Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-(4-ethylphenoxy)phenyl]methanamine?
The IUPAC name of [4-bromo-2-(4-ethylphenoxy)phenyl]methanamine (CID 43364972) is [4-bromo-2-(4-ethylphenoxy)phenyl]methanamine.
What is the SMILES notation for [4-bromo-2-(4-ethylphenoxy)phenyl]methanamine?
The canonical SMILES for [4-bromo-2-(4-ethylphenoxy)phenyl]methanamine is CCc1ccc(Oc2cc(Br)ccc2CN)cc1.
What is the InChIKey of [4-bromo-2-(4-ethylphenoxy)phenyl]methanamine?
The InChIKey is GAOSJGHDFMJQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-2-11-3-7-14(8-4-11)18-15-9-13(16)6-5-12(15)10-17/h3-9H,2,10,17H2,1H3.
What are the key properties of [4-bromo-2-(4-ethylphenoxy)phenyl]methanamine?
[4-bromo-2-(4-ethylphenoxy)phenyl]methanamine has a molecular weight of 306.20 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-2-(4-ethylphenoxy)phenyl]methanamine is sourced from PubChem (CID 43364972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).