4-(chloromethyl)-N-[(5-ethylthiophen-2-yl)methyl]aniline

C14H16ClNS — CID 65025343

IUPAC4-(chloromethyl)-N-[(5-ethylthiophen-2-yl)methyl]aniline
SMILESCCc1ccc(CNc2ccc(CCl)cc2)s1
InChIInChI=1S/C14H16ClNS/c1-2-13-7-8-14(17-13)10-16-12-5-3-11(9-15)4-6-12/h3-8,16H,2,9-10H2,1H3
InChIKeyMGSSQVQJWJOOSZ-UHFFFAOYSA-N
MW265.81 g/mol
LogP4.66
Rot. Bonds5

About 4-(chloromethyl)-N-[(5-ethylthiophen-2-yl)methyl]aniline

4-(chloromethyl)-N-[(5-ethylthiophen-2-yl)methyl]aniline (PubChem CID 65025343) has the molecular formula C14H16ClNS and a molecular weight of 265.81 g/mol. Its IUPAC name is 4-(chloromethyl)-N-[(5-ethylthiophen-2-yl)methyl]aniline.

Molecular Properties

Compound Name4-(chloromethyl)-N-[(5-ethylthiophen-2-yl)methyl]aniline
PubChem CID65025343
Molecular FormulaC14H16ClNS
Molecular Weight265.81 g/mol
Exact Mass265.07
IUPAC Name4-(chloromethyl)-N-[(5-ethylthiophen-2-yl)methyl]aniline
SMILESCCc1ccc(CNc2ccc(CCl)cc2)s1
InChIInChI=1S/C14H16ClNS/c1-2-13-7-8-14(17-13)10-16-12-5-3-11(9-15)4-6-12/h3-8,16H,2,9-10H2,1H3
InChIKeyMGSSQVQJWJOOSZ-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.81
LogP ≤ 54.66
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

2-[4-[(5-ethylthiophen-2-yl)methylamino]phenyl]-N-methylacetamide
CID 62347331
N-[(5-ethylthiophen-2-yl)methyl]pyridin-4-amine
CID 103095282
4-N,4-N-diethyl-1-N-[(5-ethylthiophen-2-yl)methyl]benzene-1,4-diamine
CID 62346787
3-(3-chloropropyl)-N-[(5-ethylthiophen-2-yl)methyl]aniline
CID 113397854
N-[(5-ethylthiophen-2-yl)methyl]-6-fluoropyridin-3-amine
CID 103934195
N-[(5-ethylthiophen-2-yl)methyl]-2,3,4,5,6-pentafluoroaniline
CID 115281522
N-[4-[(5-ethylthiophen-2-yl)methylamino]phenyl]-2-methoxyacetamide
CID 62345367
5-[(5-ethylthiophen-2-yl)methylamino]-1-methylpyridin-2-one
CID 62345735
6-bromo-N-[(5-ethylthiophen-2-yl)methyl]naphthalen-2-amine
CID 81260087
2,5-diethylthiophene
CID 521294
2,6-dichloro-N-[(5-ethylthiophen-2-yl)methyl]aniline
CID 65467227
2-chloro-4-[(5-ethylthiophen-2-yl)methylamino]benzamide
CID 62346089

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-[(5-ethylthiophen-2-yl)methyl]aniline?
The IUPAC name of 4-(chloromethyl)-N-[(5-ethylthiophen-2-yl)methyl]aniline (CID 65025343) is 4-(chloromethyl)-N-[(5-ethylthiophen-2-yl)methyl]aniline.
What is the SMILES notation for 4-(chloromethyl)-N-[(5-ethylthiophen-2-yl)methyl]aniline?
The canonical SMILES for 4-(chloromethyl)-N-[(5-ethylthiophen-2-yl)methyl]aniline is CCc1ccc(CNc2ccc(CCl)cc2)s1.
What is the InChIKey of 4-(chloromethyl)-N-[(5-ethylthiophen-2-yl)methyl]aniline?
The InChIKey is MGSSQVQJWJOOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNS/c1-2-13-7-8-14(17-13)10-16-12-5-3-11(9-15)4-6-12/h3-8,16H,2,9-10H2,1H3.
What are the key properties of 4-(chloromethyl)-N-[(5-ethylthiophen-2-yl)methyl]aniline?
4-(chloromethyl)-N-[(5-ethylthiophen-2-yl)methyl]aniline has a molecular weight of 265.81 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-[(5-ethylthiophen-2-yl)methyl]aniline is sourced from PubChem (CID 65025343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).