4-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]pentan-1-ol

C15H23NO2 — CID 113422664

IUPAC4-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]pentan-1-ol
SMILESCC(CCCO)NC1c2ccccc2OCC1C
InChIInChI=1S/C15H23NO2/c1-11-10-18-14-8-4-3-7-13(14)15(11)16-12(2)6-5-9-17/h3-4,7-8,11-12,15-17H,5-6,9-10H2,1-2H3
InChIKeyYXWLVAAUFSBAHZ-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.51
Rot. Bonds5

About 4-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]pentan-1-ol

4-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]pentan-1-ol (PubChem CID 113422664) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name4-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]pentan-1-ol
PubChem CID113422664
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]pentan-1-ol
SMILESCC(CCCO)NC1c2ccccc2OCC1C
InChIInChI=1S/C15H23NO2/c1-11-10-18-14-8-4-3-7-13(14)15(11)16-12(2)6-5-9-17/h3-4,7-8,11-12,15-17H,5-6,9-10H2,1-2H3
InChIKeyYXWLVAAUFSBAHZ-UHFFFAOYSA-N
XLogP2.51
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 104523746
3-methyl-2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]butan-1-ol
CID 104524260
N-methyl-2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propanamide
CID 104524073
methyl (2S)-2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propanoate
CID 104523978
N-[(1R)-1-cyclohexylethyl]-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104524318
3-methyl-N-(1-thiophen-2-ylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 104523855
3-[1-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]ethyl]phenol
CID 104523999
3,3-dimethyl-4-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]butan-1-ol
CID 106143445
3-methyl-N-(2-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104523757
3-methyl-N-[(1S)-1-pyridin-3-ylethyl]-3,4-dihydro-2H-chromen-4-amine
CID 104524329
N-[(1R)-1-(3-fluorophenyl)ethyl]-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104524304
N-butan-2-yl-3-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propanamide
CID 104524045

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]pentan-1-ol?
The IUPAC name of 4-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]pentan-1-ol (CID 113422664) is 4-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]pentan-1-ol.
What is the SMILES notation for 4-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]pentan-1-ol?
The canonical SMILES for 4-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]pentan-1-ol is CC(CCCO)NC1c2ccccc2OCC1C.
What is the InChIKey of 4-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]pentan-1-ol?
The InChIKey is YXWLVAAUFSBAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-10-18-14-8-4-3-7-13(14)15(11)16-12(2)6-5-9-17/h3-4,7-8,11-12,15-17H,5-6,9-10H2,1-2H3.
What are the key properties of 4-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]pentan-1-ol?
4-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]pentan-1-ol has a molecular weight of 249.35 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]pentan-1-ol is sourced from PubChem (CID 113422664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).