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

C16H19NO2S — CID 79138969

IUPAC[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(3-methylthiophen-2-yl)methanol
SMILESCc1ccsc1C(O)C1(CN)CCOc2ccccc21
InChIInChI=1S/C16H19NO2S/c1-11-6-9-20-14(11)15(18)16(10-17)7-8-19-13-5-3-2-4-12(13)16/h2-6,9,15,18H,7-8,10,17H2,1H3
InChIKeyMBGXAPAVERDGPM-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.77
Rot. Bonds3

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

[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(3-methylthiophen-2-yl)methanol (PubChem CID 79138969) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is [4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(3-methylthiophen-2-yl)methanol.

Molecular Properties

Compound Name[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(3-methylthiophen-2-yl)methanol
PubChem CID79138969
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(3-methylthiophen-2-yl)methanol
SMILESCc1ccsc1C(O)C1(CN)CCOc2ccccc21
InChIInChI=1S/C16H19NO2S/c1-11-6-9-20-14(11)15(18)16(10-17)7-8-19-13-5-3-2-4-12(13)16/h2-6,9,15,18H,7-8,10,17H2,1H3
InChIKeyMBGXAPAVERDGPM-UHFFFAOYSA-N
XLogP2.77
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(3-methylthiophen-2-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(3-methylthiophen-2-yl)methanol
CID 79138518
1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]propan-1-ol
CID 79138768
1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-3-methylbutan-1-ol
CID 79137627
[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(4-fluorophenyl)methanol
CID 79123378
[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(2-fluorophenyl)methanol
CID 79123613
[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(5-chlorothiophen-2-yl)methanol
CID 79138364
1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-2-ethylbutan-1-ol
CID 79138339
1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-2-phenylethanol
CID 79124581
[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(3-ethylimidazol-4-yl)methanol
CID 79125290
(4-methyl-2,3-dihydrochromen-4-yl)methanamine
CID 65408065
[4-[(3-bromothiophen-2-yl)methyl]-2,3-dihydrochromen-4-yl]methanamine
CID 65409422
4-(aminomethyl)-2,3-dihydrochromen-4-ol;hydrochloride
CID 12914868

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(3-methylthiophen-2-yl)methanol?
The IUPAC name of [4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(3-methylthiophen-2-yl)methanol (CID 79138969) is [4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(3-methylthiophen-2-yl)methanol.
What is the SMILES notation for [4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(3-methylthiophen-2-yl)methanol?
The canonical SMILES for [4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(3-methylthiophen-2-yl)methanol is Cc1ccsc1C(O)C1(CN)CCOc2ccccc21.
What is the InChIKey of [4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(3-methylthiophen-2-yl)methanol?
The InChIKey is MBGXAPAVERDGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-11-6-9-20-14(11)15(18)16(10-17)7-8-19-13-5-3-2-4-12(13)16/h2-6,9,15,18H,7-8,10,17H2,1H3.
What are the key properties of [4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(3-methylthiophen-2-yl)methanol?
[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(3-methylthiophen-2-yl)methanol has a molecular weight of 289.40 g/mol, XLogP of 2.77, 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]-(3-methylthiophen-2-yl)methanol is sourced from PubChem (CID 79138969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).