3-methyl-N-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine

C15H23NO — CID 104523746

IUPAC3-methyl-N-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine
SMILESCCCC(C)NC1c2ccccc2OCC1C
InChIInChI=1S/C15H23NO/c1-4-7-12(3)16-15-11(2)10-17-14-9-6-5-8-13(14)15/h5-6,8-9,11-12,15-16H,4,7,10H2,1-3H3
InChIKeyKBNIKWGEELTCDI-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.53
Rot. Bonds4

About 3-methyl-N-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine

3-methyl-N-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104523746) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 3-methyl-N-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name3-methyl-N-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine
PubChem CID104523746
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name3-methyl-N-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine
SMILESCCCC(C)NC1c2ccccc2OCC1C
InChIInChI=1S/C15H23NO/c1-4-7-12(3)16-15-11(2)10-17-14-9-6-5-8-13(14)15/h5-6,8-9,11-12,15-16H,4,7,10H2,1-3H3
InChIKeyKBNIKWGEELTCDI-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]pentan-1-ol
CID 113422664
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
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
N-butan-2-yl-3-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propanamide
CID 104524045
3-methyl-N-(2-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104523757
3-methyl-N-[(1S)-1-pyridin-3-ylethyl]-3,4-dihydro-2H-chromen-4-amine
CID 104524329
3-[1-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]ethyl]phenol
CID 104523999
N-[(1R)-1-(3-fluorophenyl)ethyl]-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104524304
N-pentan-2-yl-9H-xanthen-9-amine
CID 43344204

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 3-methyl-N-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine (CID 104523746) is 3-methyl-N-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 3-methyl-N-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 3-methyl-N-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine is CCCC(C)NC1c2ccccc2OCC1C.
What is the InChIKey of 3-methyl-N-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is KBNIKWGEELTCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-7-12(3)16-15-11(2)10-17-14-9-6-5-8-13(14)15/h5-6,8-9,11-12,15-16H,4,7,10H2,1-3H3.
What are the key properties of 3-methyl-N-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine?
3-methyl-N-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 233.35 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104523746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).