1-[4-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine;hydrobromide

C12H21BrN2 — CID 45265936

IUPAC1-[4-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine;hydrobromide
SMILESBr.CN(C)Cc1ccc(CN(C)C)cc1
InChIInChI=1S/C12H20N2.BrH/c1-13(2)9-11-5-7-12(8-6-11)10-14(3)4;/h5-8H,9-10H2,1-4H3;1H
InChIKeyHDBIVAVTOIIMBT-UHFFFAOYSA-N
MW273.22 g/mol
LogP2.39
Rot. Bonds4

About 1-[4-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine;hydrobromide

1-[4-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine;hydrobromide (PubChem CID 45265936) has the molecular formula C12H21BrN2 and a molecular weight of 273.22 g/mol. Its IUPAC name is 1-[4-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine;hydrobromide.

Molecular Properties

Compound Name1-[4-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine;hydrobromide
PubChem CID45265936
Molecular FormulaC12H21BrN2
Molecular Weight273.22 g/mol
Exact Mass272.09
IUPAC Name1-[4-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine;hydrobromide
SMILESBr.CN(C)Cc1ccc(CN(C)C)cc1
InChIInChI=1S/C12H20N2.BrH/c1-13(2)9-11-5-7-12(8-6-11)10-14(3)4;/h5-8H,9-10H2,1-4H3;1H
InChIKeyHDBIVAVTOIIMBT-UHFFFAOYSA-N
XLogP2.39
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.22
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine;hydrobromide?
The IUPAC name of 1-[4-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine;hydrobromide (CID 45265936) is 1-[4-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine;hydrobromide.
What is the SMILES notation for 1-[4-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine;hydrobromide?
The canonical SMILES for 1-[4-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine;hydrobromide is Br.CN(C)Cc1ccc(CN(C)C)cc1.
What is the InChIKey of 1-[4-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine;hydrobromide?
The InChIKey is HDBIVAVTOIIMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2.BrH/c1-13(2)9-11-5-7-12(8-6-11)10-14(3)4;/h5-8H,9-10H2,1-4H3;1H.
What are the key properties of 1-[4-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine;hydrobromide?
1-[4-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine;hydrobromide has a molecular weight of 273.22 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine;hydrobromide is sourced from PubChem (CID 45265936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).