6-fluoro-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine

C17H18FNO — CID 82461647

IUPAC6-fluoro-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc(CNC2CCOc3ccc(F)cc32)cc1
InChIInChI=1S/C17H18FNO/c1-12-2-4-13(5-3-12)11-19-16-8-9-20-17-7-6-14(18)10-15(16)17/h2-7,10,16,19H,8-9,11H2,1H3
InChIKeyRPCMGXVEBRVYEQ-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.75
Rot. Bonds3

About 6-fluoro-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine

6-fluoro-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine (PubChem CID 82461647) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is 6-fluoro-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-fluoro-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
PubChem CID82461647
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name6-fluoro-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc(CNC2CCOc3ccc(F)cc32)cc1
InChIInChI=1S/C17H18FNO/c1-12-2-4-13(5-3-12)11-19-16-8-9-20-17-7-6-14(18)10-15(16)17/h2-7,10,16,19H,8-9,11H2,1H3
InChIKeyRPCMGXVEBRVYEQ-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-6-fluoro-N-(pyrimidin-5-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 124696908
4-[[[(5R)-7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]amino]methyl]benzonitrile
CID 95582598
N-[(2,3-dimethylimidazol-4-yl)methyl]-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 138032353
N',N'-diethyl-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine
CID 82461639
5-[[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]methyl]thiophene-2-carbonitrile
CID 119145559
(4R)-6-fluoro-N-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 124699924
6-methyl-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82461441
3-[[[(4R)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-N,N-dimethylpyridin-4-amine
CID 99828366
N-benzyl-6-chloro-3,4-dihydro-2H-chromen-4-amine
CID 12851989
N-benzyl-6-bromo-3,4-dihydro-2H-chromen-4-amine
CID 43757033
N-benzyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 12851988
N-[(4-methoxyphenyl)methyl]-6,7-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 82461561

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-fluoro-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine (CID 82461647) is 6-fluoro-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-fluoro-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-fluoro-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine is Cc1ccc(CNC2CCOc3ccc(F)cc32)cc1.
What is the InChIKey of 6-fluoro-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is RPCMGXVEBRVYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-12-2-4-13(5-3-12)11-19-16-8-9-20-17-7-6-14(18)10-15(16)17/h2-7,10,16,19H,8-9,11H2,1H3.
What are the key properties of 6-fluoro-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine?
6-fluoro-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 271.34 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 82461647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).