N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine

C18H21NO2 — CID 81367470

IUPACN-[(1R)-1-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc([C@@H](C)NC2CCOc3ccccc32)cc1
InChIInChI=1S/C18H21NO2/c1-13(14-7-9-15(20-2)10-8-14)19-17-11-12-21-18-6-4-3-5-16(17)18/h3-10,13,17,19H,11-12H2,1-2H3/t13-,17?/m1/s1
InChIKeyVORINTKLCATZIC-FWJOYPJLSA-N
MW283.37 g/mol
LogP3.87
Rot. Bonds4

About N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine

N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine (PubChem CID 81367470) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine
PubChem CID81367470
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-[(1R)-1-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc([C@@H](C)NC2CCOc3ccccc32)cc1
InChIInChI=1S/C18H21NO2/c1-13(14-7-9-15(20-2)10-8-14)19-17-11-12-21-18-6-4-3-5-16(17)18/h3-10,13,17,19H,11-12H2,1-2H3/t13-,17?/m1/s1
InChIKeyVORINTKLCATZIC-FWJOYPJLSA-N
XLogP3.87
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(3,4-dihydro-2H-chromen-4-ylamino)ethyl]benzonitrile
CID 43692400
N-(1-thiophen-3-ylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 62091395
N-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 81364817
N-[(1R)-1-(3-chlorophenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 81366354
N-[(1S)-1-(furan-2-yl)ethyl]-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 81402765
N-[(1R)-1-(furan-2-yl)ethyl]-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 81403157
6-[1-(3,4-dihydro-2H-chromen-4-ylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione
CID 126808880
2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-methoxyphenyl)ethanol
CID 104769164
N-[(1S)-1-(4-methoxyphenyl)ethyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107149518
N-[1-(1H-pyrazol-5-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 54881846
N-(3-ethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 63842967
N-propan-2-yloxy-3,4-dihydro-2H-chromen-4-amine
CID 91322782

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine (CID 81367470) is N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine is COc1ccc([C@@H](C)NC2CCOc3ccccc32)cc1.
What is the InChIKey of N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is VORINTKLCATZIC-FWJOYPJLSA-N. The full InChI is InChI=1S/C18H21NO2/c1-13(14-7-9-15(20-2)10-8-14)19-17-11-12-21-18-6-4-3-5-16(17)18/h3-10,13,17,19H,11-12H2,1-2H3/t13-,17?/m1/s1.
What are the key properties of N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine?
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 283.37 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 81367470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).