[4-(cyclopentylmethyl)-2,3-dihydrochromen-4-yl]methanamine

C16H23NO — CID 65407110

IUPAC[4-(cyclopentylmethyl)-2,3-dihydrochromen-4-yl]methanamine
SMILESNCC1(CC2CCCC2)CCOc2ccccc21
InChIInChI=1S/C16H23NO/c17-12-16(11-13-5-1-2-6-13)9-10-18-15-8-4-3-7-14(15)16/h3-4,7-8,13H,1-2,5-6,9-12,17H2
InChIKeyACJHLJAQHRYQPZ-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.25
Rot. Bonds3

About [4-(cyclopentylmethyl)-2,3-dihydrochromen-4-yl]methanamine

[4-(cyclopentylmethyl)-2,3-dihydrochromen-4-yl]methanamine (PubChem CID 65407110) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is [4-(cyclopentylmethyl)-2,3-dihydrochromen-4-yl]methanamine.

Molecular Properties

Compound Name[4-(cyclopentylmethyl)-2,3-dihydrochromen-4-yl]methanamine
PubChem CID65407110
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name[4-(cyclopentylmethyl)-2,3-dihydrochromen-4-yl]methanamine
SMILESNCC1(CC2CCCC2)CCOc2ccccc21
InChIInChI=1S/C16H23NO/c17-12-16(11-13-5-1-2-6-13)9-10-18-15-8-4-3-7-14(15)16/h3-4,7-8,13H,1-2,5-6,9-12,17H2
InChIKeyACJHLJAQHRYQPZ-UHFFFAOYSA-N
XLogP3.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(cyclopentylmethyl)-2,3-dihydrochromen-4-yl]methanamine?
The IUPAC name of [4-(cyclopentylmethyl)-2,3-dihydrochromen-4-yl]methanamine (CID 65407110) is [4-(cyclopentylmethyl)-2,3-dihydrochromen-4-yl]methanamine.
What is the SMILES notation for [4-(cyclopentylmethyl)-2,3-dihydrochromen-4-yl]methanamine?
The canonical SMILES for [4-(cyclopentylmethyl)-2,3-dihydrochromen-4-yl]methanamine is NCC1(CC2CCCC2)CCOc2ccccc21.
What is the InChIKey of [4-(cyclopentylmethyl)-2,3-dihydrochromen-4-yl]methanamine?
The InChIKey is ACJHLJAQHRYQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c17-12-16(11-13-5-1-2-6-13)9-10-18-15-8-4-3-7-14(15)16/h3-4,7-8,13H,1-2,5-6,9-12,17H2.
What are the key properties of [4-(cyclopentylmethyl)-2,3-dihydrochromen-4-yl]methanamine?
[4-(cyclopentylmethyl)-2,3-dihydrochromen-4-yl]methanamine has a molecular weight of 245.37 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopentylmethyl)-2,3-dihydrochromen-4-yl]methanamine is sourced from PubChem (CID 65407110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).