[3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromen-5-yl]methanol

C16H25NO2 — CID 19028167

IUPAC[3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromen-5-yl]methanol
SMILESCCCN(C(C)C)C1COc2cccc(CO)c2C1
InChIInChI=1S/C16H25NO2/c1-4-8-17(12(2)3)14-9-15-13(10-18)6-5-7-16(15)19-11-14/h5-7,12,14,18H,4,8-11H2,1-3H3
InChIKeyZNQMUUNUPMGVCC-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.60
Rot. Bonds5

About [3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromen-5-yl]methanol

[3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromen-5-yl]methanol (PubChem CID 19028167) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is [3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromen-5-yl]methanol.

Molecular Properties

Compound Name[3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromen-5-yl]methanol
PubChem CID19028167
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name[3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromen-5-yl]methanol
SMILESCCCN(C(C)C)C1COc2cccc(CO)c2C1
InChIInChI=1S/C16H25NO2/c1-4-8-17(12(2)3)14-9-15-13(10-18)6-5-7-16(15)19-11-14/h5-7,12,14,18H,4,8-11H2,1-3H3
InChIKeyZNQMUUNUPMGVCC-UHFFFAOYSA-N
XLogP2.60
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromen-5-yl]methanol?
The IUPAC name of [3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromen-5-yl]methanol (CID 19028167) is [3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromen-5-yl]methanol.
What is the SMILES notation for [3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromen-5-yl]methanol?
The canonical SMILES for [3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromen-5-yl]methanol is CCCN(C(C)C)C1COc2cccc(CO)c2C1.
What is the InChIKey of [3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromen-5-yl]methanol?
The InChIKey is ZNQMUUNUPMGVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-8-17(12(2)3)14-9-15-13(10-18)6-5-7-16(15)19-11-14/h5-7,12,14,18H,4,8-11H2,1-3H3.
What are the key properties of [3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromen-5-yl]methanol?
[3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromen-5-yl]methanol has a molecular weight of 263.38 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromen-5-yl]methanol is sourced from PubChem (CID 19028167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).