4-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline

C13H15ClN2S — CID 61438708

IUPAC4-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline
SMILESCN(Cc1ccc(Cl)s1)c1ccc(CN)cc1
InChIInChI=1S/C13H15ClN2S/c1-16(9-12-6-7-13(14)17-12)11-4-2-10(8-15)3-5-11/h2-7H,8-9,15H2,1H3
InChIKeyXKBKNVOJGACZHU-UHFFFAOYSA-N
MW266.80 g/mol
LogP3.50
Rot. Bonds4

About 4-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline

4-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline (PubChem CID 61438708) has the molecular formula C13H15ClN2S and a molecular weight of 266.80 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline
PubChem CID61438708
Molecular FormulaC13H15ClN2S
Molecular Weight266.80 g/mol
Exact Mass266.06
IUPAC Name4-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline
SMILESCN(Cc1ccc(Cl)s1)c1ccc(CN)cc1
InChIInChI=1S/C13H15ClN2S/c1-16(9-12-6-7-13(14)17-12)11-4-2-10(8-15)3-5-11/h2-7H,8-9,15H2,1H3
InChIKeyXKBKNVOJGACZHU-UHFFFAOYSA-N
XLogP3.50
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.80
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-(2-aminopropyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline
CID 63816137
4-[(1R)-1-aminoethyl]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline
CID 78934665
5-N-[(5-chlorothiophen-2-yl)methyl]-5-N-methylpyridine-3,5-diamine
CID 104533337
4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methylaniline
CID 61413469
[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]furan-3-yl]methanamine
CID 55073926
3-[(5-chlorothiophen-2-yl)methyl-methylamino]benzoic acid
CID 102822767
4-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-methylbenzoic acid
CID 62136632
4-(aminomethyl)-3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridin-2-amine
CID 107055274
6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridin-2-amine
CID 63586888
2-bromo-4-[(5-chlorothiophen-2-yl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 107278624
1-(5-chlorothiophen-2-yl)-N-(hydrazinylmethyl)-N-methylmethanamine
CID 115260926
4-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylaniline
CID 61416417

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline?
The IUPAC name of 4-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline (CID 61438708) is 4-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline.
What is the SMILES notation for 4-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline?
The canonical SMILES for 4-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline is CN(Cc1ccc(Cl)s1)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline?
The InChIKey is XKBKNVOJGACZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2S/c1-16(9-12-6-7-13(14)17-12)11-4-2-10(8-15)3-5-11/h2-7H,8-9,15H2,1H3.
What are the key properties of 4-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline?
4-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline has a molecular weight of 266.80 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline is sourced from PubChem (CID 61438708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).