N-[1-(2-methylphenyl)propan-2-yl]-3,4-dihydro-2H-chromen-4-amine

C19H23NO — CID 60943496

IUPACN-[1-(2-methylphenyl)propan-2-yl]-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccccc1CC(C)NC1CCOc2ccccc21
InChIInChI=1S/C19H23NO/c1-14-7-3-4-8-16(14)13-15(2)20-18-11-12-21-19-10-6-5-9-17(18)19/h3-10,15,18,20H,11-13H2,1-2H3
InChIKeyZVQICLQHSFRUPG-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.04
Rot. Bonds4

About N-[1-(2-methylphenyl)propan-2-yl]-3,4-dihydro-2H-chromen-4-amine

N-[1-(2-methylphenyl)propan-2-yl]-3,4-dihydro-2H-chromen-4-amine (PubChem CID 60943496) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[1-(2-methylphenyl)propan-2-yl]-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-[1-(2-methylphenyl)propan-2-yl]-3,4-dihydro-2H-chromen-4-amine
PubChem CID60943496
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-[1-(2-methylphenyl)propan-2-yl]-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccccc1CC(C)NC1CCOc2ccccc21
InChIInChI=1S/C19H23NO/c1-14-7-3-4-8-16(14)13-15(2)20-18-11-12-21-19-10-6-5-9-17(18)19/h3-10,15,18,20H,11-13H2,1-2H3
InChIKeyZVQICLQHSFRUPG-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(3,4-dihydro-2H-chromen-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82939350
N-[(2-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 43221297
N-(4-methylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 115721989
N-(3-ethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 63842967
N-(1-piperidin-1-ylpropan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 43749078
N-(4-ethylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 115725491
3-(3,4-dihydro-2H-chromen-4-ylamino)-N'-hydroxybutanimidamide
CID 77028469
(2R)-2-(2,3,4,5-tetrahydro-1-benzoxepin-5-ylamino)propan-1-ol
CID 103778563
2,6-dimethyl-N-[1-(2-methylphenyl)propan-2-yl]cyclohexan-1-amine
CID 55191586
2-(3,4-dihydro-2H-chromen-4-ylamino)-N-pentan-2-ylpropanamide
CID 60722358
N-(2-methyl-1-thiophen-2-ylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 43722981
2-(3,4-dihydro-2H-chromen-4-ylamino)-N-(2-methylpropyl)propanamide
CID 60677318

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylphenyl)propan-2-yl]-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-[1-(2-methylphenyl)propan-2-yl]-3,4-dihydro-2H-chromen-4-amine (CID 60943496) is N-[1-(2-methylphenyl)propan-2-yl]-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-[1-(2-methylphenyl)propan-2-yl]-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-[1-(2-methylphenyl)propan-2-yl]-3,4-dihydro-2H-chromen-4-amine is Cc1ccccc1CC(C)NC1CCOc2ccccc21.
What is the InChIKey of N-[1-(2-methylphenyl)propan-2-yl]-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is ZVQICLQHSFRUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-14-7-3-4-8-16(14)13-15(2)20-18-11-12-21-19-10-6-5-9-17(18)19/h3-10,15,18,20H,11-13H2,1-2H3.
What are the key properties of N-[1-(2-methylphenyl)propan-2-yl]-3,4-dihydro-2H-chromen-4-amine?
N-[1-(2-methylphenyl)propan-2-yl]-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 281.40 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylphenyl)propan-2-yl]-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 60943496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).