N,N-dimethyl-1-[4-(2-methylphenoxy)-3,4-dihydro-2H-chromen-3-yl]methanamine

C19H23NO2 — CID 75053205

IUPACN,N-dimethyl-1-[4-(2-methylphenoxy)-3,4-dihydro-2H-chromen-3-yl]methanamine
SMILESCc1ccccc1OC1c2ccccc2OCC1CN(C)C
InChIInChI=1S/C19H23NO2/c1-14-8-4-6-10-17(14)22-19-15(12-20(2)3)13-21-18-11-7-5-9-16(18)19/h4-11,15,19H,12-13H2,1-3H3
InChIKeyDIEUHEQWLCVFKO-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.69
Rot. Bonds4

About N,N-dimethyl-1-[4-(2-methylphenoxy)-3,4-dihydro-2H-chromen-3-yl]methanamine

N,N-dimethyl-1-[4-(2-methylphenoxy)-3,4-dihydro-2H-chromen-3-yl]methanamine (PubChem CID 75053205) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-(2-methylphenoxy)-3,4-dihydro-2H-chromen-3-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-(2-methylphenoxy)-3,4-dihydro-2H-chromen-3-yl]methanamine
PubChem CID75053205
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC NameN,N-dimethyl-1-[4-(2-methylphenoxy)-3,4-dihydro-2H-chromen-3-yl]methanamine
SMILESCc1ccccc1OC1c2ccccc2OCC1CN(C)C
InChIInChI=1S/C19H23NO2/c1-14-8-4-6-10-17(14)22-19-15(12-20(2)3)13-21-18-11-7-5-9-16(18)19/h4-11,15,19H,12-13H2,1-3H3
InChIKeyDIEUHEQWLCVFKO-UHFFFAOYSA-N
XLogP3.69
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethanol;[1-(2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]methanamine
CID 143367533
1-[(3S,4S)-4-(2-ethenylphenoxy)-3,4-dihydro-2H-chromen-3-yl]-N-methylmethanamine;1-[(3S,4S)-4-(2-ethylphenoxy)-3,4-dihydro-2H-chromen-3-yl]-N-methylmethanamine
CID 158513899
N,N-dimethyl-2,3-dihydro-1-benzofuran-3-amine
CID 45088771
N-methyl-1-[(3S,4R)-4-(2-methylphenoxy)-3,4-dihydro-1H-isochromen-3-yl]methanamine
CID 44587484
3-[(2,5-dimethylphenoxy)methyl]-2,3-dihydro-1-benzofuran
CID 81005013
1-(2-methylphenoxy)-2,3-dihydro-1H-indene
CID 57123599
(3S,4S)-3,4-dipentyl-3,4-dihydro-2H-chromene
CID 69084900
1-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-N-methylpropane-1,2-diamine
CID 79230396
2-(2-methylphenoxy)oxetane
CID 23394730
(3S,4S)-4-(2-methylphenoxy)oxolan-3-ol
CID 155905989
(4-amino-3,4-dihydro-2H-chromen-3-yl)methanol
CID 64814696
4-[(2,3-dimethylphenoxy)methyl]-3,4-dihydro-2H-chromene
CID 103432382

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-(2-methylphenoxy)-3,4-dihydro-2H-chromen-3-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[4-(2-methylphenoxy)-3,4-dihydro-2H-chromen-3-yl]methanamine (CID 75053205) is N,N-dimethyl-1-[4-(2-methylphenoxy)-3,4-dihydro-2H-chromen-3-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[4-(2-methylphenoxy)-3,4-dihydro-2H-chromen-3-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[4-(2-methylphenoxy)-3,4-dihydro-2H-chromen-3-yl]methanamine is Cc1ccccc1OC1c2ccccc2OCC1CN(C)C.
What is the InChIKey of N,N-dimethyl-1-[4-(2-methylphenoxy)-3,4-dihydro-2H-chromen-3-yl]methanamine?
The InChIKey is DIEUHEQWLCVFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-14-8-4-6-10-17(14)22-19-15(12-20(2)3)13-21-18-11-7-5-9-16(18)19/h4-11,15,19H,12-13H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[4-(2-methylphenoxy)-3,4-dihydro-2H-chromen-3-yl]methanamine?
N,N-dimethyl-1-[4-(2-methylphenoxy)-3,4-dihydro-2H-chromen-3-yl]methanamine has a molecular weight of 297.40 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-(2-methylphenoxy)-3,4-dihydro-2H-chromen-3-yl]methanamine is sourced from PubChem (CID 75053205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).