4-(chloromethyl)-N-(thiophen-3-ylmethyl)aniline

C12H12ClNS — CID 65025400

IUPAC4-(chloromethyl)-N-(thiophen-3-ylmethyl)aniline
SMILESClCc1ccc(NCc2ccsc2)cc1
InChIInChI=1S/C12H12ClNS/c13-7-10-1-3-12(4-2-10)14-8-11-5-6-15-9-11/h1-6,9,14H,7-8H2
InChIKeyMWOXJQJAKQKVAC-UHFFFAOYSA-N
MW237.76 g/mol
LogP4.10
Rot. Bonds4

About 4-(chloromethyl)-N-(thiophen-3-ylmethyl)aniline

4-(chloromethyl)-N-(thiophen-3-ylmethyl)aniline (PubChem CID 65025400) has the molecular formula C12H12ClNS and a molecular weight of 237.76 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(thiophen-3-ylmethyl)aniline.

Molecular Properties

Compound Name4-(chloromethyl)-N-(thiophen-3-ylmethyl)aniline
PubChem CID65025400
Molecular FormulaC12H12ClNS
Molecular Weight237.76 g/mol
Exact Mass237.04
IUPAC Name4-(chloromethyl)-N-(thiophen-3-ylmethyl)aniline
SMILESClCc1ccc(NCc2ccsc2)cc1
InChIInChI=1S/C12H12ClNS/c13-7-10-1-3-12(4-2-10)14-8-11-5-6-15-9-11/h1-6,9,14H,7-8H2
InChIKeyMWOXJQJAKQKVAC-UHFFFAOYSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.76
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-N-(2-thiophen-3-ylethyl)aniline
CID 65025347
4-phenyl-N-(thiophen-3-ylmethyl)aniline
CID 43716853
N,N-dimethyl-2-[4-(thiophen-3-ylmethylamino)phenyl]acetamide
CID 43720754
4-(difluoromethylsulfanyl)-N-(thiophen-3-ylmethyl)aniline
CID 43673080
4-piperidin-1-yl-N-(thiophen-3-ylmethyl)aniline
CID 43715642
N,N-dimethyl-4-(thiophen-3-ylmethylamino)benzamide
CID 43681971
3-chloro-4-methylsulfanyl-N-(thiophen-3-ylmethyl)aniline
CID 115744205
4-methyl-1-N-(thiophen-3-ylmethyl)benzene-1,3-diamine
CID 63247673
4-(1H-imidazol-5-yl)-N-(thiophen-3-ylmethyl)aniline
CID 43722426
5-(thiophen-3-ylmethylamino)pyridine-2-carbonitrile
CID 79840154
5-(chloromethyl)-N-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106957660
N-(thiophen-3-ylmethyl)-6-(trifluoromethyl)pyridin-3-amine
CID 82810835

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-(thiophen-3-ylmethyl)aniline?
The IUPAC name of 4-(chloromethyl)-N-(thiophen-3-ylmethyl)aniline (CID 65025400) is 4-(chloromethyl)-N-(thiophen-3-ylmethyl)aniline.
What is the SMILES notation for 4-(chloromethyl)-N-(thiophen-3-ylmethyl)aniline?
The canonical SMILES for 4-(chloromethyl)-N-(thiophen-3-ylmethyl)aniline is ClCc1ccc(NCc2ccsc2)cc1.
What is the InChIKey of 4-(chloromethyl)-N-(thiophen-3-ylmethyl)aniline?
The InChIKey is MWOXJQJAKQKVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNS/c13-7-10-1-3-12(4-2-10)14-8-11-5-6-15-9-11/h1-6,9,14H,7-8H2.
What are the key properties of 4-(chloromethyl)-N-(thiophen-3-ylmethyl)aniline?
4-(chloromethyl)-N-(thiophen-3-ylmethyl)aniline has a molecular weight of 237.76 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-(thiophen-3-ylmethyl)aniline is sourced from PubChem (CID 65025400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).