N-[[3-bromo-4-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine

C17H21BrN2S — CID 102769676

IUPACN-[[3-bromo-4-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine
SMILESCN(Cc1ccsc1)Cc1ccc(CNC2CC2)cc1Br
InChIInChI=1S/C17H21BrN2S/c1-20(10-14-6-7-21-12-14)11-15-3-2-13(8-17(15)18)9-19-16-4-5-16/h2-3,6-8,12,16,19H,4-5,9-11H2,1H3
InChIKeyHUOISCNMWDFHTJ-UHFFFAOYSA-N
MW365.34 g/mol
LogP4.39
Rot. Bonds7

About N-[[3-bromo-4-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine

N-[[3-bromo-4-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine (PubChem CID 102769676) has the molecular formula C17H21BrN2S and a molecular weight of 365.34 g/mol. Its IUPAC name is N-[[3-bromo-4-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-bromo-4-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine
PubChem CID102769676
Molecular FormulaC17H21BrN2S
Molecular Weight365.34 g/mol
Exact Mass364.06
IUPAC NameN-[[3-bromo-4-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine
SMILESCN(Cc1ccsc1)Cc1ccc(CNC2CC2)cc1Br
InChIInChI=1S/C17H21BrN2S/c1-20(10-14-6-7-21-12-14)11-15-3-2-13(8-17(15)18)9-19-16-4-5-16/h2-3,6-8,12,16,19H,4-5,9-11H2,1H3
InChIKeyHUOISCNMWDFHTJ-UHFFFAOYSA-N
XLogP4.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-bromo-4-[[cyclobutylmethyl(methyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 102770756
N'-[[2-bromo-4-[(cyclopropylamino)methyl]phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 102771134
N-[[3-bromo-4-[[methyl(prop-2-ynyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 102771678
N-[[3-bromo-4-[[methyl(pent-4-enyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 102771942
N-[[3-bromo-4-[[ethyl(propyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 102769498
1-[3-bromo-4-[[methyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]-N-methylmethanamine
CID 102769304
N-[[3-bromo-4-(thiophen-2-ylmethoxymethyl)phenyl]methyl]cyclopropanamine
CID 102773450
4-propan-2-yl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine
CID 63247711
N-[[3-bromo-4-(2,2-difluoroethoxymethyl)phenyl]methyl]cyclopropanamine
CID 102773946
6-[(cyclopropylamino)methyl]-N-methyl-N-(thiophen-3-ylmethyl)pyridazin-3-amine
CID 62279754
2-[[2-bromo-4-[(cyclopropylamino)methyl]phenyl]methyl-prop-2-enylamino]ethanol
CID 102771931
5-[(cyclopropylamino)methyl]-N-methyl-N-(thiophen-3-ylmethyl)pyrazin-2-amine
CID 107379171

Frequently Asked Questions

What is the IUPAC name of N-[[3-bromo-4-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-bromo-4-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine (CID 102769676) is N-[[3-bromo-4-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-bromo-4-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-bromo-4-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine is CN(Cc1ccsc1)Cc1ccc(CNC2CC2)cc1Br.
What is the InChIKey of N-[[3-bromo-4-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine?
The InChIKey is HUOISCNMWDFHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2S/c1-20(10-14-6-7-21-12-14)11-15-3-2-13(8-17(15)18)9-19-16-4-5-16/h2-3,6-8,12,16,19H,4-5,9-11H2,1H3.
What are the key properties of N-[[3-bromo-4-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine?
N-[[3-bromo-4-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine has a molecular weight of 365.34 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-bromo-4-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 102769676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).