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

C16H25NO2 — CID 106143445

IUPAC3,3-dimethyl-4-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]butan-1-ol
SMILESCC1COc2ccccc2C1NCC(C)(C)CCO
InChIInChI=1S/C16H25NO2/c1-12-10-19-14-7-5-4-6-13(14)15(12)17-11-16(2,3)8-9-18/h4-7,12,15,17-18H,8-11H2,1-3H3
InChIKeyMKUZEPWWOJNEJO-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.75
Rot. Bonds5

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

3,3-dimethyl-4-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]butan-1-ol (PubChem CID 106143445) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3,3-dimethyl-4-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-4-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]butan-1-ol
PubChem CID106143445
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3,3-dimethyl-4-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]butan-1-ol
SMILESCC1COc2ccccc2C1NCC(C)(C)CCO
InChIInChI=1S/C16H25NO2/c1-12-10-19-14-7-5-4-6-13(14)15(12)17-11-16(2,3)8-9-18/h4-7,12,15,17-18H,8-11H2,1-3H3
InChIKeyMKUZEPWWOJNEJO-UHFFFAOYSA-N
XLogP2.75
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,3-dimethyl-4-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]butan-1-ol with MolForge

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Related Compounds

N-[2-methyl-1-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-yl]methanesulfonamide
CID 104524176
4-[[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]methyl]cyclohexan-1-ol
CID 106125894
4-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]pentan-1-ol
CID 113422664
4-[2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]ethyl]phenol
CID 104524065
5-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-4,4-dimethylpentan-1-ol
CID 106147124
3-methyl-2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]butan-1-ol
CID 104524260
N-cyclopropyl-2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]acetamide
CID 104523927
3-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-3-methylpentan-1-ol
CID 114154063
3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 106369720
4-(9H-fluoren-9-ylamino)-3,3-dimethylbutan-1-ol
CID 103952094
3-methyl-N-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 104523746
N-[2-(3-fluorophenyl)ethyl]-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104523924

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]butan-1-ol?
The IUPAC name of 3,3-dimethyl-4-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]butan-1-ol (CID 106143445) is 3,3-dimethyl-4-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]butan-1-ol.
What is the SMILES notation for 3,3-dimethyl-4-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]butan-1-ol?
The canonical SMILES for 3,3-dimethyl-4-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]butan-1-ol is CC1COc2ccccc2C1NCC(C)(C)CCO.
What is the InChIKey of 3,3-dimethyl-4-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]butan-1-ol?
The InChIKey is MKUZEPWWOJNEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12-10-19-14-7-5-4-6-13(14)15(12)17-11-16(2,3)8-9-18/h4-7,12,15,17-18H,8-11H2,1-3H3.
What are the key properties of 3,3-dimethyl-4-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]butan-1-ol?
3,3-dimethyl-4-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]butan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]butan-1-ol is sourced from PubChem (CID 106143445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).