1-(4-bromo-2-methylphenyl)-N,N-dimethylmethanamine;1-(4-chloro-2-methylphenyl)-N,N-dimethylmethanamine

C20H28BrClN2 — CID 142050679

IUPAC1-(4-bromo-2-methylphenyl)-N,N-dimethylmethanamine;1-(4-chloro-2-methylphenyl)-N,N-dimethylmethanamine
SMILESCc1cc(Br)ccc1CN(C)C.Cc1cc(Cl)ccc1CN(C)C
InChIInChI=1S/C10H14BrN.C10H14ClN/c2*1-8-6-10(11)5-4-9(8)7-12(2)3/h2*4-6H,7H2,1-3H3
InChIKeyDNTOFOQYKKVITL-UHFFFAOYSA-N
MW411.82 g/mol
LogP5.53
Rot. Bonds4

About 1-(4-bromo-2-methylphenyl)-N,N-dimethylmethanamine;1-(4-chloro-2-methylphenyl)-N,N-dimethylmethanamine

1-(4-bromo-2-methylphenyl)-N,N-dimethylmethanamine;1-(4-chloro-2-methylphenyl)-N,N-dimethylmethanamine (PubChem CID 142050679) has the molecular formula C20H28BrClN2 and a molecular weight of 411.82 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-N,N-dimethylmethanamine;1-(4-chloro-2-methylphenyl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-N,N-dimethylmethanamine;1-(4-chloro-2-methylphenyl)-N,N-dimethylmethanamine
PubChem CID142050679
Molecular FormulaC20H28BrClN2
Molecular Weight411.82 g/mol
Exact Mass410.11
IUPAC Name1-(4-bromo-2-methylphenyl)-N,N-dimethylmethanamine;1-(4-chloro-2-methylphenyl)-N,N-dimethylmethanamine
SMILESCc1cc(Br)ccc1CN(C)C.Cc1cc(Cl)ccc1CN(C)C
InChIInChI=1S/C10H14BrN.C10H14ClN/c2*1-8-6-10(11)5-4-9(8)7-12(2)3/h2*4-6H,7H2,1-3H3
InChIKeyDNTOFOQYKKVITL-UHFFFAOYSA-N
XLogP5.53
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.82
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-Bromophenyl)-(4-chlorophenyl)methyl]-4-ethylpiperazine
CID 118109247
1-[(3-Bromophenyl)methyl]-4-[(3-chlorophenyl)methyl]piperazine
CID 1351411
N-[(4-bromo-2-fluorophenyl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine
CID 60643800
N-[(4-bromo-2-fluorophenyl)methyl]-1-(4-chlorophenyl)-N-methylmethanamine
CID 60646364
1-[4-bromo-2-(trifluoromethyl)phenyl]-1-(4-chlorophenyl)-N-methylmethanamine
CID 63416214
1-[4-bromo-2-(trifluoromethyl)phenyl]-1-(3-chlorophenyl)-N-methylmethanamine
CID 63416610
N-[(3-bromo-4-fluorophenyl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine
CID 63456485
N-[(4-bromo-2-fluorophenyl)methyl]-1-(3-chlorophenyl)-N-methylethanamine
CID 63456843
N-[(3-bromo-4-fluorophenyl)methyl]-1-(3-chlorophenyl)-N-methylethanamine
CID 63457010
N-[(4-bromo-2-fluorophenyl)methyl]-1-(4-chlorophenyl)-N-methylethanamine
CID 63458349
N-[(3-bromo-4-fluorophenyl)methyl]-1-(4-chlorophenyl)-N-methylmethanamine
CID 63458490
N-[(3-bromo-4-fluorophenyl)methyl]-1-(4-chlorophenyl)-N-methylethanamine
CID 63458513

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-N,N-dimethylmethanamine;1-(4-chloro-2-methylphenyl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-N,N-dimethylmethanamine;1-(4-chloro-2-methylphenyl)-N,N-dimethylmethanamine (CID 142050679) is 1-(4-bromo-2-methylphenyl)-N,N-dimethylmethanamine;1-(4-chloro-2-methylphenyl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-N,N-dimethylmethanamine;1-(4-chloro-2-methylphenyl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-N,N-dimethylmethanamine;1-(4-chloro-2-methylphenyl)-N,N-dimethylmethanamine is Cc1cc(Br)ccc1CN(C)C.Cc1cc(Cl)ccc1CN(C)C.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-N,N-dimethylmethanamine;1-(4-chloro-2-methylphenyl)-N,N-dimethylmethanamine?
The InChIKey is DNTOFOQYKKVITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN.C10H14ClN/c2*1-8-6-10(11)5-4-9(8)7-12(2)3/h2*4-6H,7H2,1-3H3.
What are the key properties of 1-(4-bromo-2-methylphenyl)-N,N-dimethylmethanamine;1-(4-chloro-2-methylphenyl)-N,N-dimethylmethanamine?
1-(4-bromo-2-methylphenyl)-N,N-dimethylmethanamine;1-(4-chloro-2-methylphenyl)-N,N-dimethylmethanamine has a molecular weight of 411.82 g/mol, XLogP of 5.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylphenyl)-N,N-dimethylmethanamine;1-(4-chloro-2-methylphenyl)-N,N-dimethylmethanamine is sourced from PubChem (CID 142050679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).