1-(3-bromophenyl)-2-(4-tert-butylphenyl)-N-methylethanamine

C19H24BrN — CID 63412783

IUPAC1-(3-bromophenyl)-2-(4-tert-butylphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(C(C)(C)C)cc1)c1cccc(Br)c1
InChIInChI=1S/C19H24BrN/c1-19(2,3)16-10-8-14(9-11-16)12-18(21-4)15-6-5-7-17(20)13-15/h5-11,13,18,21H,12H2,1-4H3
InChIKeyWCIODXMQCMJPTO-UHFFFAOYSA-N
MW346.31 g/mol
LogP5.25
Rot. Bonds4

About 1-(3-bromophenyl)-2-(4-tert-butylphenyl)-N-methylethanamine

1-(3-bromophenyl)-2-(4-tert-butylphenyl)-N-methylethanamine (PubChem CID 63412783) has the molecular formula C19H24BrN and a molecular weight of 346.31 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(4-tert-butylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(4-tert-butylphenyl)-N-methylethanamine
PubChem CID63412783
Molecular FormulaC19H24BrN
Molecular Weight346.31 g/mol
Exact Mass345.11
IUPAC Name1-(3-bromophenyl)-2-(4-tert-butylphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(C(C)(C)C)cc1)c1cccc(Br)c1
InChIInChI=1S/C19H24BrN/c1-19(2,3)16-10-8-14(9-11-16)12-18(21-4)15-6-5-7-17(20)13-15/h5-11,13,18,21H,12H2,1-4H3
InChIKeyWCIODXMQCMJPTO-UHFFFAOYSA-N
XLogP5.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.31
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromophenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 60818143
1-(3-bromophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 61064465
1-(3-bromophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 63412697
1-(3-bromophenyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 60818684
2-(4-bromophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 60799436
1-(3-bromophenyl)-1-N,4-dimethylpentane-1,4-diamine
CID 116950243
1-(3-bromophenyl)-2-(4-bromophenyl)-N-ethylethanamine
CID 60819896
[1-(3-bromophenyl)-2-(4-chlorophenyl)ethyl]hydrazine
CID 105198151
2-(4-bromophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine
CID 63527212
1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 60818995
2-(3-bromophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine
CID 55185855
1-(3,5-dibromophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 107974526

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(4-tert-butylphenyl)-N-methylethanamine?
The IUPAC name of 1-(3-bromophenyl)-2-(4-tert-butylphenyl)-N-methylethanamine (CID 63412783) is 1-(3-bromophenyl)-2-(4-tert-butylphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(3-bromophenyl)-2-(4-tert-butylphenyl)-N-methylethanamine?
The canonical SMILES for 1-(3-bromophenyl)-2-(4-tert-butylphenyl)-N-methylethanamine is CNC(Cc1ccc(C(C)(C)C)cc1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-(4-tert-butylphenyl)-N-methylethanamine?
The InChIKey is WCIODXMQCMJPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN/c1-19(2,3)16-10-8-14(9-11-16)12-18(21-4)15-6-5-7-17(20)13-15/h5-11,13,18,21H,12H2,1-4H3.
What are the key properties of 1-(3-bromophenyl)-2-(4-tert-butylphenyl)-N-methylethanamine?
1-(3-bromophenyl)-2-(4-tert-butylphenyl)-N-methylethanamine has a molecular weight of 346.31 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-(4-tert-butylphenyl)-N-methylethanamine is sourced from PubChem (CID 63412783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).