1-[3-(aminomethyl)phenyl]-1-(4-bromothiophen-2-yl)-N,N-dimethylmethanamine

C14H17BrN2S — CID 116907123

IUPAC1-[3-(aminomethyl)phenyl]-1-(4-bromothiophen-2-yl)-N,N-dimethylmethanamine
SMILESCN(C)C(c1cccc(CN)c1)c1cc(Br)cs1
InChIInChI=1S/C14H17BrN2S/c1-17(2)14(13-7-12(15)9-18-13)11-5-3-4-10(6-11)8-16/h3-7,9,14H,8,16H2,1-2H3
InChIKeyFQQPSSBERQFNGX-UHFFFAOYSA-N
MW325.28 g/mol
LogP3.62
Rot. Bonds4

About 1-[3-(aminomethyl)phenyl]-1-(4-bromothiophen-2-yl)-N,N-dimethylmethanamine

1-[3-(aminomethyl)phenyl]-1-(4-bromothiophen-2-yl)-N,N-dimethylmethanamine (PubChem CID 116907123) has the molecular formula C14H17BrN2S and a molecular weight of 325.28 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]-1-(4-bromothiophen-2-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-1-(4-bromothiophen-2-yl)-N,N-dimethylmethanamine
PubChem CID116907123
Molecular FormulaC14H17BrN2S
Molecular Weight325.28 g/mol
Exact Mass324.03
IUPAC Name1-[3-(aminomethyl)phenyl]-1-(4-bromothiophen-2-yl)-N,N-dimethylmethanamine
SMILESCN(C)C(c1cccc(CN)c1)c1cc(Br)cs1
InChIInChI=1S/C14H17BrN2S/c1-17(2)14(13-7-12(15)9-18-13)11-5-3-4-10(6-11)8-16/h3-7,9,14H,8,16H2,1-2H3
InChIKeyFQQPSSBERQFNGX-UHFFFAOYSA-N
XLogP3.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-bromothiophen-2-yl)-(dimethylamino)methyl]aniline
CID 116906942
(3-propan-2-ylphenyl)methanamine
CID 21085835
1-[3-(aminomethyl)phenyl]-N,N-dimethylpropan-1-amine
CID 116907106
1-(4-bromothiophen-2-yl)-N-[(3-chlorophenyl)methyl]-N-methylethane-1,2-diamine
CID 61413428
magnesium;(3-bromophenyl)methanamine;dibromide
CID 174355920
1-(4-bromothiophen-2-yl)-N,N-dimethylbutane-1,4-diamine
CID 116905160
[3-(1-fluoro-2-methylpropyl)phenyl]methanamine
CID 83856261
1-(4-bromothiophen-2-yl)-N,N,2,2-tetramethylbutane-1,4-diamine
CID 116905682
(3-bromophenyl)methanamine;hydroiodide
CID 175169219
[3-(3,3-dimethylbutan-2-yl)phenyl]methanamine
CID 115018814
2-(4-bromothiophen-2-yl)-2-(dimethylamino)ethanol
CID 116857267
2-(4-bromothiophen-2-yl)-2-(2,2-dimethylhydrazinyl)ethanamine
CID 83010765

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]-1-(4-bromothiophen-2-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-1-(4-bromothiophen-2-yl)-N,N-dimethylmethanamine (CID 116907123) is 1-[3-(aminomethyl)phenyl]-1-(4-bromothiophen-2-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]-1-(4-bromothiophen-2-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-1-(4-bromothiophen-2-yl)-N,N-dimethylmethanamine is CN(C)C(c1cccc(CN)c1)c1cc(Br)cs1.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-1-(4-bromothiophen-2-yl)-N,N-dimethylmethanamine?
The InChIKey is FQQPSSBERQFNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2S/c1-17(2)14(13-7-12(15)9-18-13)11-5-3-4-10(6-11)8-16/h3-7,9,14H,8,16H2,1-2H3.
What are the key properties of 1-[3-(aminomethyl)phenyl]-1-(4-bromothiophen-2-yl)-N,N-dimethylmethanamine?
1-[3-(aminomethyl)phenyl]-1-(4-bromothiophen-2-yl)-N,N-dimethylmethanamine has a molecular weight of 325.28 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)phenyl]-1-(4-bromothiophen-2-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 116907123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).