2-[1-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]cyclopropyl]ethanol

C15H21NO2 — CID 114750660

IUPAC2-[1-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]cyclopropyl]ethanol
SMILESOCCC1(CNC2CCOc3ccccc32)CC1
InChIInChI=1S/C15H21NO2/c17-9-8-15(6-7-15)11-16-13-5-10-18-14-4-2-1-3-12(13)14/h1-4,13,16-17H,5-11H2
InChIKeyBQEKOROANFPWFV-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.26
Rot. Bonds5

About 2-[1-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]cyclopropyl]ethanol

2-[1-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]cyclopropyl]ethanol (PubChem CID 114750660) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[1-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[1-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]cyclopropyl]ethanol
PubChem CID114750660
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-[1-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]cyclopropyl]ethanol
SMILESOCCC1(CNC2CCOc3ccccc32)CC1
InChIInChI=1S/C15H21NO2/c17-9-8-15(6-7-15)11-16-13-5-10-18-14-4-2-1-3-12(13)14/h1-4,13,16-17H,5-11H2
InChIKeyBQEKOROANFPWFV-UHFFFAOYSA-N
XLogP2.26
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-propylcyclopropyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 113348909
N-(cyclopropylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43190759
1-(3,4-dihydro-2H-chromen-4-ylamino)butan-2-ol
CID 62365912
2-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-2-methylbutan-1-ol
CID 81412763
6-methoxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3,4-dihydro-2H-chromen-4-amine
CID 103904001
1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(2-hydroxyethyl)urea
CID 97083391
2-(3,4-dihydro-2H-chromen-4-ylamino)acetonitrile
CID 62367299
1-N-(3,4-dihydro-2H-chromen-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913047
N-[(2-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 43221297
4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-2,6-difluorophenol
CID 79831854
3-(3,4-dihydro-2H-chromen-4-ylamino)-2-hydroxypropanamide
CID 106171125
N-(2-ethylsulfonylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 55063038

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]cyclopropyl]ethanol?
The IUPAC name of 2-[1-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]cyclopropyl]ethanol (CID 114750660) is 2-[1-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]cyclopropyl]ethanol.
What is the SMILES notation for 2-[1-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]cyclopropyl]ethanol?
The canonical SMILES for 2-[1-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]cyclopropyl]ethanol is OCCC1(CNC2CCOc3ccccc32)CC1.
What is the InChIKey of 2-[1-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]cyclopropyl]ethanol?
The InChIKey is BQEKOROANFPWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c17-9-8-15(6-7-15)11-16-13-5-10-18-14-4-2-1-3-12(13)14/h1-4,13,16-17H,5-11H2.
What are the key properties of 2-[1-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]cyclopropyl]ethanol?
2-[1-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]cyclopropyl]ethanol has a molecular weight of 247.34 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]cyclopropyl]ethanol is sourced from PubChem (CID 114750660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).