4-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydrochromen-4-amine

C14H14ClNOS — CID 65421588

IUPAC4-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydrochromen-4-amine
SMILESNC1(Cc2ccc(Cl)s2)CCOc2ccccc21
InChIInChI=1S/C14H14ClNOS/c15-13-6-5-10(18-13)9-14(16)7-8-17-12-4-2-1-3-11(12)14/h1-6H,7-9,16H2
InChIKeyXEGACYHLCBWGBQ-UHFFFAOYSA-N
MW279.79 g/mol
LogP3.58
Rot. Bonds2

About 4-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydrochromen-4-amine

4-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydrochromen-4-amine (PubChem CID 65421588) has the molecular formula C14H14ClNOS and a molecular weight of 279.79 g/mol. Its IUPAC name is 4-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydrochromen-4-amine.

Molecular Properties

Compound Name4-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydrochromen-4-amine
PubChem CID65421588
Molecular FormulaC14H14ClNOS
Molecular Weight279.79 g/mol
Exact Mass279.05
IUPAC Name4-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydrochromen-4-amine
SMILESNC1(Cc2ccc(Cl)s2)CCOc2ccccc21
InChIInChI=1S/C14H14ClNOS/c15-13-6-5-10(18-13)9-14(16)7-8-17-12-4-2-1-3-11(12)14/h1-6H,7-9,16H2
InChIKeyXEGACYHLCBWGBQ-UHFFFAOYSA-N
XLogP3.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydrochromen-4-amine
CID 65406283
4-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydrochromene-4-carbonitrile
CID 65406679
4-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydrochromene-4-carboxylic acid
CID 65406590
4-[(4-fluorophenyl)methyl]-2,3-dihydrochromen-4-amine
CID 65419629
4-[(2-methoxyphenyl)methyl]-2,3-dihydrochromen-4-amine
CID 65419418
4-[(2,5-dimethylphenyl)methyl]-2,3-dihydrochromen-4-amine
CID 65403944
[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(5-chlorothiophen-2-yl)methanol
CID 79138364
4-[(2-bromo-4-fluorophenyl)methyl]-2,3-dihydrochromen-4-amine
CID 65403950
4-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydrochromen-4-amine
CID 65422015
4-(4,4-dimethylpentyl)-2,3-dihydrochromen-4-amine
CID 114210547
4-[(5-chlorothiophen-2-yl)methyl]oxepan-4-amine
CID 65076621
4-(aminomethyl)-2,3-dihydrochromen-4-ol;hydrochloride
CID 12914868

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydrochromen-4-amine?
The IUPAC name of 4-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydrochromen-4-amine (CID 65421588) is 4-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydrochromen-4-amine.
What is the SMILES notation for 4-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydrochromen-4-amine?
The canonical SMILES for 4-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydrochromen-4-amine is NC1(Cc2ccc(Cl)s2)CCOc2ccccc21.
What is the InChIKey of 4-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydrochromen-4-amine?
The InChIKey is XEGACYHLCBWGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNOS/c15-13-6-5-10(18-13)9-14(16)7-8-17-12-4-2-1-3-11(12)14/h1-6H,7-9,16H2.
What are the key properties of 4-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydrochromen-4-amine?
4-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydrochromen-4-amine has a molecular weight of 279.79 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydrochromen-4-amine is sourced from PubChem (CID 65421588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).