3-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]butan-1-ol

C15H23NO2 — CID 81338296

IUPAC3-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]butan-1-ol
SMILESCC(CCO)NC1CC(C)(C)Oc2ccccc21
InChIInChI=1S/C15H23NO2/c1-11(8-9-17)16-13-10-15(2,3)18-14-7-5-4-6-12(13)14/h4-7,11,13,16-17H,8-10H2,1-3H3
InChIKeyNYWINBYKMFCKLN-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.65
Rot. Bonds4

About 3-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]butan-1-ol

3-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]butan-1-ol (PubChem CID 81338296) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name3-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]butan-1-ol
PubChem CID81338296
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]butan-1-ol
SMILESCC(CCO)NC1CC(C)(C)Oc2ccccc21
InChIInChI=1S/C15H23NO2/c1-11(8-9-17)16-13-10-15(2,3)18-14-7-5-4-6-12(13)14/h4-7,11,13,16-17H,8-10H2,1-3H3
InChIKeyNYWINBYKMFCKLN-UHFFFAOYSA-N
XLogP2.65
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]propan-1-ol
CID 81136488
2,2-dimethyl-N-pentan-2-yl-3,4-dihydrochromen-4-amine
CID 81137015
(2S)-2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-3-methylbutan-1-ol
CID 81142918
4-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pentanamide;hydrochloride
CID 120563166
2,2-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]-3,4-dihydrochromen-4-amine
CID 81140827
2,2-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3,4-dihydrochromen-4-amine
CID 106281899
(2R)-2-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 119331766
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 103776946
3-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-methylbutanamide;hydrochloride
CID 120501370
N-cyclopent-3-en-1-yl-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 113262696
2-[[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]methyl]phenol
CID 115697977
2,2-dimethyl-N-(1-pyridin-3-ylethyl)-3,4-dihydrochromen-4-amine
CID 81139220

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]butan-1-ol?
The IUPAC name of 3-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]butan-1-ol (CID 81338296) is 3-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]butan-1-ol.
What is the SMILES notation for 3-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]butan-1-ol?
The canonical SMILES for 3-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]butan-1-ol is CC(CCO)NC1CC(C)(C)Oc2ccccc21.
What is the InChIKey of 3-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]butan-1-ol?
The InChIKey is NYWINBYKMFCKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(8-9-17)16-13-10-15(2,3)18-14-7-5-4-6-12(13)14/h4-7,11,13,16-17H,8-10H2,1-3H3.
What are the key properties of 3-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]butan-1-ol?
3-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]butan-1-ol has a molecular weight of 249.35 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]butan-1-ol is sourced from PubChem (CID 81338296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).