2-(2-aminopropyl)-5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline

C15H18BrClN2S — CID 63815965

IUPAC2-(2-aminopropyl)-5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline
SMILESCC(N)Cc1ccc(Br)cc1N(C)Cc1ccc(Cl)s1
InChIInChI=1S/C15H18BrClN2S/c1-10(18)7-11-3-4-12(16)8-14(11)19(2)9-13-5-6-15(17)20-13/h3-6,8,10H,7,9,18H2,1-2H3
InChIKeyJWCMEJIKGQHHJA-UHFFFAOYSA-N
MW373.75 g/mol
LogP4.69
Rot. Bonds5

About 2-(2-aminopropyl)-5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline

2-(2-aminopropyl)-5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline (PubChem CID 63815965) has the molecular formula C15H18BrClN2S and a molecular weight of 373.75 g/mol. Its IUPAC name is 2-(2-aminopropyl)-5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline.

Molecular Properties

Compound Name2-(2-aminopropyl)-5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline
PubChem CID63815965
Molecular FormulaC15H18BrClN2S
Molecular Weight373.75 g/mol
Exact Mass372.01
IUPAC Name2-(2-aminopropyl)-5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline
SMILESCC(N)Cc1ccc(Br)cc1N(C)Cc1ccc(Cl)s1
InChIInChI=1S/C15H18BrClN2S/c1-10(18)7-11-3-4-12(16)8-14(11)19(2)9-13-5-6-15(17)20-13/h3-6,8,10H,7,9,18H2,1-2H3
InChIKeyJWCMEJIKGQHHJA-UHFFFAOYSA-N
XLogP4.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.75
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminopropyl)-5-bromo-N-ethyl-N-methylaniline
CID 63786948
2-(2-aminopropyl)-5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N-methylaniline
CID 63816184
4-(2-aminopropyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline
CID 63816137
2-(2-aminopropyl)-5-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 63815166
2-(2-aminopropyl)-5-bromo-N-(cyclopropylmethyl)-N-methylaniline
CID 55235070
2-(2-aminopropyl)-N-[(5-bromothiophen-3-yl)methyl]-5-chloro-N-methylaniline
CID 114861417
1-(5-bromo-2-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine
CID 115841430
1-(4-bromo-2-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine
CID 115841576
4-[(1R)-1-aminoethyl]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline
CID 78934665
2-(2-aminopropyl)-5-bromo-N-cyclopentyl-N-methylaniline
CID 63785627
N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81248386
5-bromo-2-(bromomethyl)-N-methyl-N-(thiophen-2-ylmethyl)aniline
CID 107080216

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline?
The IUPAC name of 2-(2-aminopropyl)-5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline (CID 63815965) is 2-(2-aminopropyl)-5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline.
What is the SMILES notation for 2-(2-aminopropyl)-5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline?
The canonical SMILES for 2-(2-aminopropyl)-5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline is CC(N)Cc1ccc(Br)cc1N(C)Cc1ccc(Cl)s1.
What is the InChIKey of 2-(2-aminopropyl)-5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline?
The InChIKey is JWCMEJIKGQHHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrClN2S/c1-10(18)7-11-3-4-12(16)8-14(11)19(2)9-13-5-6-15(17)20-13/h3-6,8,10H,7,9,18H2,1-2H3.
What are the key properties of 2-(2-aminopropyl)-5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline?
2-(2-aminopropyl)-5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline has a molecular weight of 373.75 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline is sourced from PubChem (CID 63815965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).