[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(5-chlorothiophen-2-yl)methanol

C15H16ClNO2S — CID 79138364

IUPAC[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(5-chlorothiophen-2-yl)methanol
SMILESNCC1(C(O)c2ccc(Cl)s2)CCOc2ccccc21
InChIInChI=1S/C15H16ClNO2S/c16-13-6-5-12(20-13)14(18)15(9-17)7-8-19-11-4-2-1-3-10(11)15/h1-6,14,18H,7-9,17H2
InChIKeyPZCHBSLZJYVTNV-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.11
Rot. Bonds3

About [4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(5-chlorothiophen-2-yl)methanol

[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(5-chlorothiophen-2-yl)methanol (PubChem CID 79138364) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is [4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(5-chlorothiophen-2-yl)methanol.

Molecular Properties

Compound Name[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(5-chlorothiophen-2-yl)methanol
PubChem CID79138364
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC Name[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(5-chlorothiophen-2-yl)methanol
SMILESNCC1(C(O)c2ccc(Cl)s2)CCOc2ccccc21
InChIInChI=1S/C15H16ClNO2S/c16-13-6-5-12(20-13)14(18)15(9-17)7-8-19-11-4-2-1-3-10(11)15/h1-6,14,18H,7-9,17H2
InChIKeyPZCHBSLZJYVTNV-UHFFFAOYSA-N
XLogP3.11
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(5-chlorothiophen-2-yl)methanol?
The IUPAC name of [4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(5-chlorothiophen-2-yl)methanol (CID 79138364) is [4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(5-chlorothiophen-2-yl)methanol.
What is the SMILES notation for [4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(5-chlorothiophen-2-yl)methanol?
The canonical SMILES for [4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(5-chlorothiophen-2-yl)methanol is NCC1(C(O)c2ccc(Cl)s2)CCOc2ccccc21.
What is the InChIKey of [4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(5-chlorothiophen-2-yl)methanol?
The InChIKey is PZCHBSLZJYVTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S/c16-13-6-5-12(20-13)14(18)15(9-17)7-8-19-11-4-2-1-3-10(11)15/h1-6,14,18H,7-9,17H2.
What are the key properties of [4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(5-chlorothiophen-2-yl)methanol?
[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(5-chlorothiophen-2-yl)methanol has a molecular weight of 309.82 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(5-chlorothiophen-2-yl)methanol is sourced from PubChem (CID 79138364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).