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

C14H21NO2 — CID 81136488

IUPAC2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]propan-1-ol
SMILESCC(CO)NC1CC(C)(C)Oc2ccccc21
InChIInChI=1S/C14H21NO2/c1-10(9-16)15-12-8-14(2,3)17-13-7-5-4-6-11(12)13/h4-7,10,12,15-16H,8-9H2,1-3H3
InChIKeyUMSOKSVJXUAFEJ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.26
Rot. Bonds3

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

2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]propan-1-ol (PubChem CID 81136488) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]propan-1-ol
PubChem CID81136488
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]propan-1-ol
SMILESCC(CO)NC1CC(C)(C)Oc2ccccc21
InChIInChI=1S/C14H21NO2/c1-10(9-16)15-12-8-14(2,3)17-13-7-5-4-6-11(12)13/h4-7,10,12,15-16H,8-9H2,1-3H3
InChIKeyUMSOKSVJXUAFEJ-UHFFFAOYSA-N
XLogP2.26
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]butan-1-ol
CID 81338296
(2S)-2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-3-methylbutan-1-ol
CID 81142918
2,2-dimethyl-N-pentan-2-yl-3,4-dihydrochromen-4-amine
CID 81137015
2,2-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]-3,4-dihydrochromen-4-amine
CID 81140827
2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]propan-1-ol
CID 106700871
2,2-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3,4-dihydrochromen-4-amine
CID 106281899
2,2-dimethyl-N-(1-pyridin-3-ylethyl)-3,4-dihydrochromen-4-amine
CID 81139220
2,2-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]-3,4-dihydrochromen-4-amine
CID 103905314
(2R)-2-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 119331766
2-[[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]methyl]phenol
CID 115697977
(2R)-2-(2,3,4,5-tetrahydro-1-benzoxepin-5-ylamino)propan-1-ol
CID 103778563
(4R)-N-[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 124743503

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]propan-1-ol?
The IUPAC name of 2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]propan-1-ol (CID 81136488) is 2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]propan-1-ol.
What is the SMILES notation for 2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]propan-1-ol?
The canonical SMILES for 2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]propan-1-ol is CC(CO)NC1CC(C)(C)Oc2ccccc21.
What is the InChIKey of 2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]propan-1-ol?
The InChIKey is UMSOKSVJXUAFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10(9-16)15-12-8-14(2,3)17-13-7-5-4-6-11(12)13/h4-7,10,12,15-16H,8-9H2,1-3H3.
What are the key properties of 2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]propan-1-ol?
2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]propan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]propan-1-ol is sourced from PubChem (CID 81136488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).