N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methyl-2-methylsulfanylethanamine

C12H19BrN2S — CID 102771838

IUPACN-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methyl-2-methylsulfanylethanamine
SMILESCSCCN(C)Cc1ccc(CN)cc1Br
InChIInChI=1S/C12H19BrN2S/c1-15(5-6-16-2)9-11-4-3-10(8-14)7-12(11)13/h3-4,7H,5-6,8-9,14H2,1-2H3
InChIKeyCCGTYWFANFVUBQ-UHFFFAOYSA-N
MW303.27 g/mol
LogP2.70
Rot. Bonds6

About N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methyl-2-methylsulfanylethanamine

N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methyl-2-methylsulfanylethanamine (PubChem CID 102771838) has the molecular formula C12H19BrN2S and a molecular weight of 303.27 g/mol. Its IUPAC name is N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methyl-2-methylsulfanylethanamine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methyl-2-methylsulfanylethanamine
PubChem CID102771838
Molecular FormulaC12H19BrN2S
Molecular Weight303.27 g/mol
Exact Mass302.05
IUPAC NameN-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methyl-2-methylsulfanylethanamine
SMILESCSCCN(C)Cc1ccc(CN)cc1Br
InChIInChI=1S/C12H19BrN2S/c1-15(5-6-16-2)9-11-4-3-10(8-14)7-12(11)13/h3-4,7H,5-6,8-9,14H2,1-2H3
InChIKeyCCGTYWFANFVUBQ-UHFFFAOYSA-N
XLogP2.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methyl-3-methylsulfanylpropan-1-amine
CID 114238251
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-2-methylsulfanylethanamine
CID 112657803
[3-bromo-4-[[(2-bromophenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 102770348
4-(aminomethyl)-2-bromo-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112667211
[3-bromo-4-[[(3-fluorophenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 102769331
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-2-methylsulfanylethanamine
CID 107113587
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methylpropan-1-amine
CID 43270934
N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methylpentan-2-amine
CID 102769820
[4-(aminomethyl)-3-bromophenyl]methanamine;hydrochloride
CID 162330321
N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N,4-dimethylcyclohexan-1-amine
CID 102768407
N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methyl-1-(oxan-3-yl)methanamine
CID 102771142
N-[(4-iodophenyl)methyl]-N-methyl-2-methylsulfanylethanamine
CID 112700451

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methyl-2-methylsulfanylethanamine?
The IUPAC name of N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methyl-2-methylsulfanylethanamine (CID 102771838) is N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methyl-2-methylsulfanylethanamine.
What is the SMILES notation for N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methyl-2-methylsulfanylethanamine?
The canonical SMILES for N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methyl-2-methylsulfanylethanamine is CSCCN(C)Cc1ccc(CN)cc1Br.
What is the InChIKey of N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methyl-2-methylsulfanylethanamine?
The InChIKey is CCGTYWFANFVUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2S/c1-15(5-6-16-2)9-11-4-3-10(8-14)7-12(11)13/h3-4,7H,5-6,8-9,14H2,1-2H3.
What are the key properties of N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methyl-2-methylsulfanylethanamine?
N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methyl-2-methylsulfanylethanamine has a molecular weight of 303.27 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methyl-2-methylsulfanylethanamine is sourced from PubChem (CID 102771838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).