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

C16H23NO2 — CID 79138100

IUPAC[3-(aminomethyl)-2,4-dihydrochromen-3-yl]-cyclopentylmethanol
SMILESNCC1(C(O)C2CCCC2)COc2ccccc2C1
InChIInChI=1S/C16H23NO2/c17-10-16(15(18)12-5-1-2-6-12)9-13-7-3-4-8-14(13)19-11-16/h3-4,7-8,12,15,18H,1-2,5-6,9-11,17H2
InChIKeyVUYXQYVGRSBZGE-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.12
Rot. Bonds3

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

[3-(aminomethyl)-2,4-dihydrochromen-3-yl]-cyclopentylmethanol (PubChem CID 79138100) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is [3-(aminomethyl)-2,4-dihydrochromen-3-yl]-cyclopentylmethanol.

Molecular Properties

Compound Name[3-(aminomethyl)-2,4-dihydrochromen-3-yl]-cyclopentylmethanol
PubChem CID79138100
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name[3-(aminomethyl)-2,4-dihydrochromen-3-yl]-cyclopentylmethanol
SMILESNCC1(C(O)C2CCCC2)COc2ccccc2C1
InChIInChI=1S/C16H23NO2/c17-10-16(15(18)12-5-1-2-6-12)9-13-7-3-4-8-14(13)19-11-16/h3-4,7-8,12,15,18H,1-2,5-6,9-11,17H2
InChIKeyVUYXQYVGRSBZGE-UHFFFAOYSA-N
XLogP2.12
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-2,4-dihydrochromen-3-yl]-cyclopentylmethanol?
The IUPAC name of [3-(aminomethyl)-2,4-dihydrochromen-3-yl]-cyclopentylmethanol (CID 79138100) is [3-(aminomethyl)-2,4-dihydrochromen-3-yl]-cyclopentylmethanol.
What is the SMILES notation for [3-(aminomethyl)-2,4-dihydrochromen-3-yl]-cyclopentylmethanol?
The canonical SMILES for [3-(aminomethyl)-2,4-dihydrochromen-3-yl]-cyclopentylmethanol is NCC1(C(O)C2CCCC2)COc2ccccc2C1.
What is the InChIKey of [3-(aminomethyl)-2,4-dihydrochromen-3-yl]-cyclopentylmethanol?
The InChIKey is VUYXQYVGRSBZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c17-10-16(15(18)12-5-1-2-6-12)9-13-7-3-4-8-14(13)19-11-16/h3-4,7-8,12,15,18H,1-2,5-6,9-11,17H2.
What are the key properties of [3-(aminomethyl)-2,4-dihydrochromen-3-yl]-cyclopentylmethanol?
[3-(aminomethyl)-2,4-dihydrochromen-3-yl]-cyclopentylmethanol has a molecular weight of 261.36 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-2,4-dihydrochromen-3-yl]-cyclopentylmethanol is sourced from PubChem (CID 79138100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).