3-methyl-N-(2-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine

C19H23NO — CID 104523757

IUPAC3-methyl-N-(2-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCC(C)c1ccccc1NC1c2ccccc2OCC1C
InChIInChI=1S/C19H23NO/c1-13(2)15-8-4-6-10-17(15)20-19-14(3)12-21-18-11-7-5-9-16(18)19/h4-11,13-14,19-20H,12H2,1-3H3
InChIKeyYWNGXZWOMNWFKK-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.99
Rot. Bonds3

About 3-methyl-N-(2-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine

3-methyl-N-(2-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104523757) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-methyl-N-(2-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name3-methyl-N-(2-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID104523757
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name3-methyl-N-(2-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCC(C)c1ccccc1NC1c2ccccc2OCC1C
InChIInChI=1S/C19H23NO/c1-13(2)15-8-4-6-10-17(15)20-19-14(3)12-21-18-11-7-5-9-16(18)19/h4-11,13-14,19-20H,12H2,1-3H3
InChIKeyYWNGXZWOMNWFKK-UHFFFAOYSA-N
XLogP4.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-3-chlorophenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 103478175
2-N,2-N-dimethyl-3-N-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyridine-2,3-diamine
CID 104523960
N-(4-iodo-2-methylphenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104523967
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-[(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-methyl-N-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104523755
N-methyl-2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propanamide
CID 104524073
3-methyl-N-(2-propan-2-ylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
CID 104524355
methyl (2S)-2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propanoate
CID 104523978
4-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]pentan-1-ol
CID 113422664

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 3-methyl-N-(2-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine (CID 104523757) is 3-methyl-N-(2-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 3-methyl-N-(2-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 3-methyl-N-(2-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine is CC(C)c1ccccc1NC1c2ccccc2OCC1C.
What is the InChIKey of 3-methyl-N-(2-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is YWNGXZWOMNWFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-13(2)15-8-4-6-10-17(15)20-19-14(3)12-21-18-11-7-5-9-16(18)19/h4-11,13-14,19-20H,12H2,1-3H3.
What are the key properties of 3-methyl-N-(2-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine?
3-methyl-N-(2-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 281.40 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104523757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).