1-[4-[(3-bromophenyl)methoxy]phenyl]-N-ethylpropan-2-amine

C18H22BrNO — CID 115494906

IUPAC1-[4-[(3-bromophenyl)methoxy]phenyl]-N-ethylpropan-2-amine
SMILESCCNC(C)Cc1ccc(OCc2cccc(Br)c2)cc1
InChIInChI=1S/C18H22BrNO/c1-3-20-14(2)11-15-7-9-18(10-8-15)21-13-16-5-4-6-17(19)12-16/h4-10,12,14,20H,3,11,13H2,1-2H3
InChIKeyOPHVKROFNGRGGB-UHFFFAOYSA-N
MW348.28 g/mol
LogP4.57
Rot. Bonds7

About 1-[4-[(3-bromophenyl)methoxy]phenyl]-N-ethylpropan-2-amine

1-[4-[(3-bromophenyl)methoxy]phenyl]-N-ethylpropan-2-amine (PubChem CID 115494906) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is 1-[4-[(3-bromophenyl)methoxy]phenyl]-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-[4-[(3-bromophenyl)methoxy]phenyl]-N-ethylpropan-2-amine
PubChem CID115494906
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC Name1-[4-[(3-bromophenyl)methoxy]phenyl]-N-ethylpropan-2-amine
SMILESCCNC(C)Cc1ccc(OCc2cccc(Br)c2)cc1
InChIInChI=1S/C18H22BrNO/c1-3-20-14(2)11-15-7-9-18(10-8-15)21-13-16-5-4-6-17(19)12-16/h4-10,12,14,20H,3,11,13H2,1-2H3
InChIKeyOPHVKROFNGRGGB-UHFFFAOYSA-N
XLogP4.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(3-bromophenyl)methoxy]phenyl]propan-2-ol
CID 115495740
1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-ethylpropan-2-amine
CID 115495018
1-[4-[(3-bromophenyl)methoxy]phenyl]-N-methylmethanamine
CID 60880082
1-bromo-3-[(4-propoxyphenoxy)methyl]benzene
CID 60645272
N-ethyl-1-[4-(thiophen-3-ylmethoxy)phenyl]propan-2-amine
CID 115494944
(1S)-1-[4-[(3-bromophenyl)methoxy]phenyl]ethanamine
CID 55190790
1-(3-bromophenyl)-N-ethyl-3-(4-methoxyphenyl)propan-2-amine
CID 61372893
N-ethyl-1-[4-(3-methylbutoxy)phenyl]propan-2-amine
CID 115494877
N-ethyl-1-(4-prop-2-enoxyphenyl)propan-2-amine
CID 115494903
1-[2-[(3-bromophenyl)methoxy]-4-methylphenyl]-N-ethylethanamine
CID 63640634
1-bromo-3-[(4-fluorophenoxy)methyl]benzene
CID 60643983
1-bromo-3-[(4-iodophenoxy)methyl]benzene
CID 60645515

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-bromophenyl)methoxy]phenyl]-N-ethylpropan-2-amine?
The IUPAC name of 1-[4-[(3-bromophenyl)methoxy]phenyl]-N-ethylpropan-2-amine (CID 115494906) is 1-[4-[(3-bromophenyl)methoxy]phenyl]-N-ethylpropan-2-amine.
What is the SMILES notation for 1-[4-[(3-bromophenyl)methoxy]phenyl]-N-ethylpropan-2-amine?
The canonical SMILES for 1-[4-[(3-bromophenyl)methoxy]phenyl]-N-ethylpropan-2-amine is CCNC(C)Cc1ccc(OCc2cccc(Br)c2)cc1.
What is the InChIKey of 1-[4-[(3-bromophenyl)methoxy]phenyl]-N-ethylpropan-2-amine?
The InChIKey is OPHVKROFNGRGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-3-20-14(2)11-15-7-9-18(10-8-15)21-13-16-5-4-6-17(19)12-16/h4-10,12,14,20H,3,11,13H2,1-2H3.
What are the key properties of 1-[4-[(3-bromophenyl)methoxy]phenyl]-N-ethylpropan-2-amine?
1-[4-[(3-bromophenyl)methoxy]phenyl]-N-ethylpropan-2-amine has a molecular weight of 348.28 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-bromophenyl)methoxy]phenyl]-N-ethylpropan-2-amine is sourced from PubChem (CID 115494906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).