N-[2-(3-fluorophenyl)ethyl]-3-methyl-3,4-dihydro-2H-chromen-4-amine

C18H20FNO — CID 104523924

IUPACN-[2-(3-fluorophenyl)ethyl]-3-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCC1COc2ccccc2C1NCCc1cccc(F)c1
InChIInChI=1S/C18H20FNO/c1-13-12-21-17-8-3-2-7-16(17)18(13)20-10-9-14-5-4-6-15(19)11-14/h2-8,11,13,18,20H,9-10,12H2,1H3
InChIKeyKNGGSCYLZUSIEI-UHFFFAOYSA-N
MW285.36 g/mol
LogP3.73
Rot. Bonds4

About N-[2-(3-fluorophenyl)ethyl]-3-methyl-3,4-dihydro-2H-chromen-4-amine

N-[2-(3-fluorophenyl)ethyl]-3-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104523924) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-3-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]-3-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID104523924
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC NameN-[2-(3-fluorophenyl)ethyl]-3-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCC1COc2ccccc2C1NCCc1cccc(F)c1
InChIInChI=1S/C18H20FNO/c1-13-12-21-17-8-3-2-7-16(17)18(13)20-10-9-14-5-4-6-15(19)11-14/h2-8,11,13,18,20H,9-10,12H2,1H3
InChIKeyKNGGSCYLZUSIEI-UHFFFAOYSA-N
XLogP3.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]ethyl]phenol
CID 104524065
N-[(1R)-1-(3-fluorophenyl)ethyl]-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104524304
3-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propane-1-sulfonamide
CID 104524113
3,3-dimethyl-4-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]butan-1-ol
CID 106143445
3-(2-fluorophenyl)-N-[2-(3-fluorophenyl)ethyl]cyclobutan-1-amine
CID 43635646
4-[[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]methyl]cyclohexan-1-ol
CID 106125894
N-(2-chloro-4,6-difluorophenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104524377
3-methyl-N-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104523755
2-(3,5-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine
CID 79218778
3-methyl-N-[3-(triazol-1-yl)propyl]-3,4-dihydro-2H-chromen-4-amine
CID 104524410
N-butan-2-yl-3-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propanamide
CID 104524045
6-(2-methoxyethyl)-3-methyl-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 43537818

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]-3-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-3-methyl-3,4-dihydro-2H-chromen-4-amine (CID 104523924) is N-[2-(3-fluorophenyl)ethyl]-3-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-3-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-3-methyl-3,4-dihydro-2H-chromen-4-amine is CC1COc2ccccc2C1NCCc1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-3-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is KNGGSCYLZUSIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-13-12-21-17-8-3-2-7-16(17)18(13)20-10-9-14-5-4-6-15(19)11-14/h2-8,11,13,18,20H,9-10,12H2,1H3.
What are the key properties of N-[2-(3-fluorophenyl)ethyl]-3-methyl-3,4-dihydro-2H-chromen-4-amine?
N-[2-(3-fluorophenyl)ethyl]-3-methyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 285.36 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]-3-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104523924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).