2-(3-bromophenyl)-N-methyl-1-(4-propoxyphenyl)ethanamine

C18H22BrNO — CID 63413320

IUPAC2-(3-bromophenyl)-N-methyl-1-(4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(C(Cc2cccc(Br)c2)NC)cc1
InChIInChI=1S/C18H22BrNO/c1-3-11-21-17-9-7-15(8-10-17)18(20-2)13-14-5-4-6-16(19)12-14/h4-10,12,18,20H,3,11,13H2,1-2H3
InChIKeyBIIILUIHAGTOLD-UHFFFAOYSA-N
MW348.28 g/mol
LogP4.74
Rot. Bonds7

About 2-(3-bromophenyl)-N-methyl-1-(4-propoxyphenyl)ethanamine

2-(3-bromophenyl)-N-methyl-1-(4-propoxyphenyl)ethanamine (PubChem CID 63413320) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-methyl-1-(4-propoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-methyl-1-(4-propoxyphenyl)ethanamine
PubChem CID63413320
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC Name2-(3-bromophenyl)-N-methyl-1-(4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(C(Cc2cccc(Br)c2)NC)cc1
InChIInChI=1S/C18H22BrNO/c1-3-11-21-17-9-7-15(8-10-17)18(20-2)13-14-5-4-6-16(19)12-14/h4-10,12,18,20H,3,11,13H2,1-2H3
InChIKeyBIIILUIHAGTOLD-UHFFFAOYSA-N
XLogP4.74
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 ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3-bromophenyl)-1-(4-ethoxyphenyl)ethyl]hydrazine
CID 105202710
1-bromo-3-[(4-propoxyphenoxy)methyl]benzene
CID 60645272
N-(3-bromophenyl)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 65379159
2-(3-bromophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine
CID 55185855
[2-(3-fluorophenyl)-1-(4-propoxyphenyl)ethyl]hydrazine
CID 105204863
N-[2-(3-bromophenyl)-1-(4-bromophenyl)ethyl]propan-1-amine
CID 60817937
1-(3-bromophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 61064465
N-methyl-1-[4-(4-propoxyphenyl)phenyl]propan-1-amine
CID 63425079
1-(3-bromophenyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 60818684
2-(3-bromo-4-fluorophenyl)-1-(4-ethoxyphenyl)-N-methylethanamine
CID 115818655
N,4-dimethyl-1-(4-propoxyphenyl)pentan-1-amine
CID 62795609
2-(3-bromophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylethanamine
CID 63504239

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-methyl-1-(4-propoxyphenyl)ethanamine?
The IUPAC name of 2-(3-bromophenyl)-N-methyl-1-(4-propoxyphenyl)ethanamine (CID 63413320) is 2-(3-bromophenyl)-N-methyl-1-(4-propoxyphenyl)ethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-N-methyl-1-(4-propoxyphenyl)ethanamine?
The canonical SMILES for 2-(3-bromophenyl)-N-methyl-1-(4-propoxyphenyl)ethanamine is CCCOc1ccc(C(Cc2cccc(Br)c2)NC)cc1.
What is the InChIKey of 2-(3-bromophenyl)-N-methyl-1-(4-propoxyphenyl)ethanamine?
The InChIKey is BIIILUIHAGTOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-3-11-21-17-9-7-15(8-10-17)18(20-2)13-14-5-4-6-16(19)12-14/h4-10,12,18,20H,3,11,13H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)-N-methyl-1-(4-propoxyphenyl)ethanamine?
2-(3-bromophenyl)-N-methyl-1-(4-propoxyphenyl)ethanamine has a molecular weight of 348.28 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-methyl-1-(4-propoxyphenyl)ethanamine is sourced from PubChem (CID 63413320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).