1-(5-bromo-2-chlorophenyl)-1-(4-tert-butylphenyl)-N-methylmethanamine

C18H21BrClN — CID 43484397

IUPAC1-(5-bromo-2-chlorophenyl)-1-(4-tert-butylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(C(C)(C)C)cc1)c1cc(Br)ccc1Cl
InChIInChI=1S/C18H21BrClN/c1-18(2,3)13-7-5-12(6-8-13)17(21-4)15-11-14(19)9-10-16(15)20/h5-11,17,21H,1-4H3
InChIKeyOXWWZAQTEIYXFW-UHFFFAOYSA-N
MW366.73 g/mol
LogP5.71
Rot. Bonds3

About 1-(5-bromo-2-chlorophenyl)-1-(4-tert-butylphenyl)-N-methylmethanamine

1-(5-bromo-2-chlorophenyl)-1-(4-tert-butylphenyl)-N-methylmethanamine (PubChem CID 43484397) has the molecular formula C18H21BrClN and a molecular weight of 366.73 g/mol. Its IUPAC name is 1-(5-bromo-2-chlorophenyl)-1-(4-tert-butylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-chlorophenyl)-1-(4-tert-butylphenyl)-N-methylmethanamine
PubChem CID43484397
Molecular FormulaC18H21BrClN
Molecular Weight366.73 g/mol
Exact Mass365.05
IUPAC Name1-(5-bromo-2-chlorophenyl)-1-(4-tert-butylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(C(C)(C)C)cc1)c1cc(Br)ccc1Cl
InChIInChI=1S/C18H21BrClN/c1-18(2,3)13-7-5-12(6-8-13)17(21-4)15-11-14(19)9-10-16(15)20/h5-11,17,21H,1-4H3
InChIKeyOXWWZAQTEIYXFW-UHFFFAOYSA-N
XLogP5.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.73
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(5-bromo-2-chlorophenyl)-(4-tert-butylphenyl)methyl]hydrazine
CID 105300354
1-(4-tert-butylphenyl)-1-(2-chloro-4-methylphenyl)-N-methylmethanamine
CID 106857422
1-(5-bromo-2-chlorophenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 43481853
1-(5-bromo-2-chlorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 115827656
1-(5-bromo-2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylmethanamine
CID 43483271
1-(4-bromo-2-chlorophenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 43805217
1-(5-bromo-2-chlorophenyl)-1-(5-bromo-2-methoxyphenyl)-N-methylmethanamine
CID 43480017
1-(5-bromo-2-chlorophenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
CID 103302141
1-(4-chloro-3-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine
CID 105007156
1-(4-bromo-2-chlorophenyl)-N-methyl-1-phenylmethanamine
CID 43805215
N-[(5-bromo-2-chlorophenyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 43625398
1-(4-tert-butylphenyl)-1-(3-chloro-4-pyridinyl)-N-methylmethanamine
CID 105140506

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chlorophenyl)-1-(4-tert-butylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromo-2-chlorophenyl)-1-(4-tert-butylphenyl)-N-methylmethanamine (CID 43484397) is 1-(5-bromo-2-chlorophenyl)-1-(4-tert-butylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromo-2-chlorophenyl)-1-(4-tert-butylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromo-2-chlorophenyl)-1-(4-tert-butylphenyl)-N-methylmethanamine is CNC(c1ccc(C(C)(C)C)cc1)c1cc(Br)ccc1Cl.
What is the InChIKey of 1-(5-bromo-2-chlorophenyl)-1-(4-tert-butylphenyl)-N-methylmethanamine?
The InChIKey is OXWWZAQTEIYXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrClN/c1-18(2,3)13-7-5-12(6-8-13)17(21-4)15-11-14(19)9-10-16(15)20/h5-11,17,21H,1-4H3.
What are the key properties of 1-(5-bromo-2-chlorophenyl)-1-(4-tert-butylphenyl)-N-methylmethanamine?
1-(5-bromo-2-chlorophenyl)-1-(4-tert-butylphenyl)-N-methylmethanamine has a molecular weight of 366.73 g/mol, XLogP of 5.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-chlorophenyl)-1-(4-tert-butylphenyl)-N-methylmethanamine is sourced from PubChem (CID 43484397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).