N-(chloromethyl)-N-methyl-1-thiophen-2-ylmethanamine

C7H10ClNS — CID 115263126

IUPACN-(chloromethyl)-N-methyl-1-thiophen-2-ylmethanamine
SMILESCN(CCl)Cc1cccs1
InChIInChI=1S/C7H10ClNS/c1-9(6-8)5-7-3-2-4-10-7/h2-4H,5-6H2,1H3
InChIKeyDZQIEHRZNCIJER-UHFFFAOYSA-N
MW175.68 g/mol
LogP2.38
Rot. Bonds3

About N-(chloromethyl)-N-methyl-1-thiophen-2-ylmethanamine

N-(chloromethyl)-N-methyl-1-thiophen-2-ylmethanamine (PubChem CID 115263126) has the molecular formula C7H10ClNS and a molecular weight of 175.68 g/mol. Its IUPAC name is N-(chloromethyl)-N-methyl-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-(chloromethyl)-N-methyl-1-thiophen-2-ylmethanamine
PubChem CID115263126
Molecular FormulaC7H10ClNS
Molecular Weight175.68 g/mol
Exact Mass175.02
IUPAC NameN-(chloromethyl)-N-methyl-1-thiophen-2-ylmethanamine
SMILESCN(CCl)Cc1cccs1
InChIInChI=1S/C7H10ClNS/c1-9(6-8)5-7-3-2-4-10-7/h2-4H,5-6H2,1H3
InChIKeyDZQIEHRZNCIJER-UHFFFAOYSA-N
XLogP2.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.68
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-(chloromethyl)-N-methyl-N-(thiophen-2-ylmethyl)prop-2-en-1-amine
CID 103067645
N-methyl-2-methylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine
CID 123818114
4-[methyl(thiophen-2-ylmethyl)amino]butan-2-one
CID 60648007
3-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclobutan-1-amine
CID 115214158
1-N-methyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 43649767
1-chloro-N-methyl-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 63666776
4-bromo-N-methyl-N-(thiophen-2-ylmethyl)butan-1-amine
CID 61287126
N-methyl-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 3065791
N-methyl-N-(thiophen-2-ylmethyl)-1-(4-trimethylsilylphenyl)methanamine
CID 103438291
1-(3-bromophenyl)-N-methyl-N-(thiophen-2-ylmethyl)methanamine
CID 60646316
1-amino-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-one
CID 112708944
2-ethyl-N'-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 65228216

Frequently Asked Questions

What is the IUPAC name of N-(chloromethyl)-N-methyl-1-thiophen-2-ylmethanamine?
The IUPAC name of N-(chloromethyl)-N-methyl-1-thiophen-2-ylmethanamine (CID 115263126) is N-(chloromethyl)-N-methyl-1-thiophen-2-ylmethanamine.
What is the SMILES notation for N-(chloromethyl)-N-methyl-1-thiophen-2-ylmethanamine?
The canonical SMILES for N-(chloromethyl)-N-methyl-1-thiophen-2-ylmethanamine is CN(CCl)Cc1cccs1.
What is the InChIKey of N-(chloromethyl)-N-methyl-1-thiophen-2-ylmethanamine?
The InChIKey is DZQIEHRZNCIJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNS/c1-9(6-8)5-7-3-2-4-10-7/h2-4H,5-6H2,1H3.
What are the key properties of N-(chloromethyl)-N-methyl-1-thiophen-2-ylmethanamine?
N-(chloromethyl)-N-methyl-1-thiophen-2-ylmethanamine has a molecular weight of 175.68 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(chloromethyl)-N-methyl-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 115263126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).