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

C19H23NO — CID 104769663

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-2-(4-methylphenyl)propan-2-amine
SMILESCc1ccc(C(C)(N)CC2CCOc3ccccc32)cc1
InChIInChI=1S/C19H23NO/c1-14-7-9-16(10-8-14)19(2,20)13-15-11-12-21-18-6-4-3-5-17(15)18/h3-10,15H,11-13,20H2,1-2H3
InChIKeyQEZITWFDESTSMA-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.13
Rot. Bonds3

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

1-(3,4-dihydro-2H-chromen-4-yl)-2-(4-methylphenyl)propan-2-amine (PubChem CID 104769663) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-2-(4-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-2-(4-methylphenyl)propan-2-amine
PubChem CID104769663
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-2-(4-methylphenyl)propan-2-amine
SMILESCc1ccc(C(C)(N)CC2CCOc3ccccc32)cc1
InChIInChI=1S/C19H23NO/c1-14-7-9-16(10-8-14)19(2,20)13-15-11-12-21-18-6-4-3-5-17(15)18/h3-10,15H,11-13,20H2,1-2H3
InChIKeyQEZITWFDESTSMA-UHFFFAOYSA-N
XLogP4.13
TPSA35.25 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 ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)propan-2-amine
CID 104769674
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methylbenzamide
CID 110709241
ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717
3-(3,4-dihydro-2H-chromen-4-ylmethoxymethyl)pentan-3-amine
CID 104768841
1-(3,4-dihydro-2H-chromen-4-yl)-3-(ethylamino)-2-methylpropan-2-ol
CID 113451561
1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-methyl-2-(4-methylphenyl)propyl]guanidine
CID 111600276
1-(3,4-dihydro-2H-chromen-4-yl)-4,4-dimethoxy-2-methylbutan-2-ol
CID 104769283
(4R)-4-(iodomethyl)-3,4-dihydro-2H-chromene
CID 92908096
2-(3,4-dihydro-2H-chromen-4-yl)-1-(2,5-dimethylphenyl)ethanamine
CID 105034258
2-(aminomethyl)-2-(3,4-dihydro-2H-chromen-4-ylmethyl)butanoic acid
CID 106487423

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-2-(4-methylphenyl)propan-2-amine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-2-(4-methylphenyl)propan-2-amine (CID 104769663) is 1-(3,4-dihydro-2H-chromen-4-yl)-2-(4-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-2-(4-methylphenyl)propan-2-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-2-(4-methylphenyl)propan-2-amine is Cc1ccc(C(C)(N)CC2CCOc3ccccc32)cc1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-2-(4-methylphenyl)propan-2-amine?
The InChIKey is QEZITWFDESTSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-14-7-9-16(10-8-14)19(2,20)13-15-11-12-21-18-6-4-3-5-17(15)18/h3-10,15H,11-13,20H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-2-(4-methylphenyl)propan-2-amine?
1-(3,4-dihydro-2H-chromen-4-yl)-2-(4-methylphenyl)propan-2-amine has a molecular weight of 281.40 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-yl)-2-(4-methylphenyl)propan-2-amine is sourced from PubChem (CID 104769663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).