2-(4-bromophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine

C18H22BrNO — CID 63527212

IUPAC2-(4-bromophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine
SMILESCNC(Cc1ccc(Br)cc1)c1cccc(OC(C)C)c1
InChIInChI=1S/C18H22BrNO/c1-13(2)21-17-6-4-5-15(12-17)18(20-3)11-14-7-9-16(19)10-8-14/h4-10,12-13,18,20H,11H2,1-3H3
InChIKeyYDMGCFGFIAZABS-UHFFFAOYSA-N
MW348.28 g/mol
LogP4.74
Rot. Bonds6

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

2-(4-bromophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine (PubChem CID 63527212) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine
PubChem CID63527212
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC Name2-(4-bromophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine
SMILESCNC(Cc1ccc(Br)cc1)c1cccc(OC(C)C)c1
InChIInChI=1S/C18H22BrNO/c1-13(2)21-17-6-4-5-15(12-17)18(20-3)11-14-7-9-16(19)10-8-14/h4-10,12-13,18,20H,11H2,1-3H3
InChIKeyYDMGCFGFIAZABS-UHFFFAOYSA-N
XLogP4.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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-(4-bromophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 60799436
1-(3-bromophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 61064465
2-(4-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylethanamine
CID 61065024
1-[3-(difluoromethoxy)phenyl]-N-methyl-2-(4-methylphenyl)ethanamine
CID 61064898
[2-(4-iodophenyl)-1-(3-propan-2-yloxyphenyl)ethyl]hydrazine
CID 105310242
2-(furan-2-yl)-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine
CID 105029351
1-(3-bromophenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 60818143
1-bromo-4-[chloro-(3-propan-2-yloxyphenyl)methyl]benzene
CID 63428597
1-bromo-4-[bromo-(3-propan-2-yloxyphenyl)methyl]benzene
CID 63439428
2-(4-bromophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 43480571
1-(3-bromophenyl)-2-(4-tert-butylphenyl)-N-methylethanamine
CID 63412783
2-(4-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 60799315

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine?
The IUPAC name of 2-(4-bromophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine (CID 63527212) is 2-(4-bromophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine?
The canonical SMILES for 2-(4-bromophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine is CNC(Cc1ccc(Br)cc1)c1cccc(OC(C)C)c1.
What is the InChIKey of 2-(4-bromophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine?
The InChIKey is YDMGCFGFIAZABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-13(2)21-17-6-4-5-15(12-17)18(20-3)11-14-7-9-16(19)10-8-14/h4-10,12-13,18,20H,11H2,1-3H3.
What are the key properties of 2-(4-bromophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine?
2-(4-bromophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine has a molecular weight of 348.28 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine is sourced from PubChem (CID 63527212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).