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

C17H18FNO — CID 81364817

IUPACN-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine
SMILESC[C@H](NC1CCOc2ccccc21)c1cccc(F)c1
InChIInChI=1S/C17H18FNO/c1-12(13-5-4-6-14(18)11-13)19-16-9-10-20-17-8-3-2-7-15(16)17/h2-8,11-12,16,19H,9-10H2,1H3/t12-,16?/m0/s1
InChIKeyLVHXZYBOOPXFOG-HKALDPMFSA-N
MW271.34 g/mol
LogP4.00
Rot. Bonds3

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

N-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine (PubChem CID 81364817) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is N-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine
PubChem CID81364817
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC NameN-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine
SMILESC[C@H](NC1CCOc2ccccc21)c1cccc(F)c1
InChIInChI=1S/C17H18FNO/c1-12(13-5-4-6-14(18)11-13)19-16-9-10-20-17-8-3-2-7-15(16)17/h2-8,11-12,16,19H,9-10H2,1H3/t12-,16?/m0/s1
InChIKeyLVHXZYBOOPXFOG-HKALDPMFSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(3-chlorophenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 81366354
N-[(1R)-1-(3-fluorophenyl)ethyl]-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104524304
N-[(1S)-1-(3-fluorophenyl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 81353260
N-(1-thiophen-3-ylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 62091395
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 81367470
6-[1-(3,4-dihydro-2H-chromen-4-ylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione
CID 126808880
4-[1-(3,4-dihydro-2H-chromen-4-ylamino)ethyl]benzonitrile
CID 43692400
N-[1-(2,5-dichlorophenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 43723835
3-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-2,3-dihydro-1-benzofuran-6-ol
CID 81365402
N-[1-(3-fluorophenyl)ethyl]-2-methyloxolan-3-amine
CID 115335511
(1R)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(3-fluorophenyl)ethanamine
CID 81365124
N-[1-(3-fluorophenyl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106700810

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine (CID 81364817) is N-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine is C[C@H](NC1CCOc2ccccc21)c1cccc(F)c1.
What is the InChIKey of N-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is LVHXZYBOOPXFOG-HKALDPMFSA-N. The full InChI is InChI=1S/C17H18FNO/c1-12(13-5-4-6-14(18)11-13)19-16-9-10-20-17-8-3-2-7-15(16)17/h2-8,11-12,16,19H,9-10H2,1H3/t12-,16?/m0/s1.
What are the key properties of N-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine?
N-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 271.34 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 81364817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).