[1-(3,4-dihydro-2H-chromen-4-ylmethylamino)cyclopentyl]methanol

C16H23NO2 — CID 115924343

IUPAC[1-(3,4-dihydro-2H-chromen-4-ylmethylamino)cyclopentyl]methanol
SMILESOCC1(NCC2CCOc3ccccc32)CCCC1
InChIInChI=1S/C16H23NO2/c18-12-16(8-3-4-9-16)17-11-13-7-10-19-15-6-2-1-5-14(13)15/h1-2,5-6,13,17-18H,3-4,7-12H2
InChIKeyPFRDVHHFTYFTRH-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.45
Rot. Bonds4

About [1-(3,4-dihydro-2H-chromen-4-ylmethylamino)cyclopentyl]methanol

[1-(3,4-dihydro-2H-chromen-4-ylmethylamino)cyclopentyl]methanol (PubChem CID 115924343) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is [1-(3,4-dihydro-2H-chromen-4-ylmethylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[1-(3,4-dihydro-2H-chromen-4-ylmethylamino)cyclopentyl]methanol
PubChem CID115924343
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name[1-(3,4-dihydro-2H-chromen-4-ylmethylamino)cyclopentyl]methanol
SMILESOCC1(NCC2CCOc3ccccc32)CCCC1
InChIInChI=1S/C16H23NO2/c18-12-16(8-3-4-9-16)17-11-13-7-10-19-15-6-2-1-5-14(13)15/h1-2,5-6,13,17-18H,3-4,7-12H2
InChIKeyPFRDVHHFTYFTRH-UHFFFAOYSA-N
XLogP2.45
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-ethylcyclobutan-1-amine
CID 115907993
1-(chloromethyl)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methylcyclohexan-1-amine
CID 104771386
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine;hydrochloride
CID 165145525
1-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclopentan-1-ol
CID 104769122
1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine
CID 63708653
(2R)-2-(3,4-dihydro-2H-chromen-4-ylmethylamino)propanoic acid
CID 104768961
1-benzyl-3-(3,4-dihydro-2H-chromen-4-ylmethyl)urea
CID 110746942
N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide
CID 110709223
3-(3,4-dihydro-2H-chromen-4-ylmethylamino)propane-1,2-diol
CID 113451136
3-(3,4-dihydro-2H-chromen-4-ylmethylamino)propanoic acid
CID 104768885
2-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,1-dimethylhydrazine
CID 104768421
[4-[(3,4-dihydro-2H-chromen-4-ylmethylamino)methyl]phenyl]methanol
CID 107230849

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dihydro-2H-chromen-4-ylmethylamino)cyclopentyl]methanol?
The IUPAC name of [1-(3,4-dihydro-2H-chromen-4-ylmethylamino)cyclopentyl]methanol (CID 115924343) is [1-(3,4-dihydro-2H-chromen-4-ylmethylamino)cyclopentyl]methanol.
What is the SMILES notation for [1-(3,4-dihydro-2H-chromen-4-ylmethylamino)cyclopentyl]methanol?
The canonical SMILES for [1-(3,4-dihydro-2H-chromen-4-ylmethylamino)cyclopentyl]methanol is OCC1(NCC2CCOc3ccccc32)CCCC1.
What is the InChIKey of [1-(3,4-dihydro-2H-chromen-4-ylmethylamino)cyclopentyl]methanol?
The InChIKey is PFRDVHHFTYFTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c18-12-16(8-3-4-9-16)17-11-13-7-10-19-15-6-2-1-5-14(13)15/h1-2,5-6,13,17-18H,3-4,7-12H2.
What are the key properties of [1-(3,4-dihydro-2H-chromen-4-ylmethylamino)cyclopentyl]methanol?
[1-(3,4-dihydro-2H-chromen-4-ylmethylamino)cyclopentyl]methanol has a molecular weight of 261.36 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dihydro-2H-chromen-4-ylmethylamino)cyclopentyl]methanol is sourced from PubChem (CID 115924343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).