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

C19H29NO — CID 104524355

IUPAC3-methyl-N-(2-propan-2-ylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCC(C)C1CCCCC1NC1c2ccccc2OCC1C
InChIInChI=1S/C19H29NO/c1-13(2)15-8-4-6-10-17(15)20-19-14(3)12-21-18-11-7-5-9-16(18)19/h5,7,9,11,13-15,17,19-20H,4,6,8,10,12H2,1-3H3
InChIKeyZXLRQMXKIYRRCO-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.56
Rot. Bonds3

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

3-methyl-N-(2-propan-2-ylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104524355) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 3-methyl-N-(2-propan-2-ylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name3-methyl-N-(2-propan-2-ylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID104524355
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name3-methyl-N-(2-propan-2-ylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCC(C)C1CCCCC1NC1c2ccccc2OCC1C
InChIInChI=1S/C19H29NO/c1-13(2)15-8-4-6-10-17(15)20-19-14(3)12-21-18-11-7-5-9-16(18)19/h5,7,9,11,13-15,17,19-20H,4,6,8,10,12H2,1-3H3
InChIKeyZXLRQMXKIYRRCO-UHFFFAOYSA-N
XLogP4.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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-(2-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104523757
3-methyl-N-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 104523746
N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1-benzofuran-3-amine
CID 64763118
3-methyl-2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]butan-1-ol
CID 104524260
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
3-[1-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]ethyl]phenol
CID 104523999
4-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]pentan-1-ol
CID 113422664
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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-propan-2-ylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 3-methyl-N-(2-propan-2-ylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine (CID 104524355) is 3-methyl-N-(2-propan-2-ylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 3-methyl-N-(2-propan-2-ylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 3-methyl-N-(2-propan-2-ylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine is CC(C)C1CCCCC1NC1c2ccccc2OCC1C.
What is the InChIKey of 3-methyl-N-(2-propan-2-ylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is ZXLRQMXKIYRRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-13(2)15-8-4-6-10-17(15)20-19-14(3)12-21-18-11-7-5-9-16(18)19/h5,7,9,11,13-15,17,19-20H,4,6,8,10,12H2,1-3H3.
What are the key properties of 3-methyl-N-(2-propan-2-ylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine?
3-methyl-N-(2-propan-2-ylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 287.45 g/mol, XLogP of 4.56, 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-ylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104524355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).