N-[(2-fluorophenyl)methyl]-7-methoxy-3,4-dihydro-2H-chromen-4-amine

C17H18FNO2 — CID 82461749

IUPACN-[(2-fluorophenyl)methyl]-7-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)OCCC2NCc1ccccc1F
InChIInChI=1S/C17H18FNO2/c1-20-13-6-7-14-16(8-9-21-17(14)10-13)19-11-12-4-2-3-5-15(12)18/h2-7,10,16,19H,8-9,11H2,1H3
InChIKeyVJVWMMONJLSJTO-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.45
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-7-methoxy-3,4-dihydro-2H-chromen-4-amine

N-[(2-fluorophenyl)methyl]-7-methoxy-3,4-dihydro-2H-chromen-4-amine (PubChem CID 82461749) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-7-methoxy-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-7-methoxy-3,4-dihydro-2H-chromen-4-amine
PubChem CID82461749
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC NameN-[(2-fluorophenyl)methyl]-7-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)OCCC2NCc1ccccc1F
InChIInChI=1S/C17H18FNO2/c1-20-13-6-7-14-16(8-9-21-17(14)10-13)19-11-12-4-2-3-5-15(12)18/h2-7,10,16,19H,8-9,11H2,1H3
InChIKeyVJVWMMONJLSJTO-UHFFFAOYSA-N
XLogP3.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-4-methoxyphenol
CID 43723819
N-butyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 82461741
N-benzyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 12851988
3-[(2-fluorophenyl)methylamino]oxolan-2-one
CID 43824122
7-methoxy-N-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 75422627
N-[(4-methoxyphenyl)methyl]-6,7-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 82461561
2-(2-fluorophenyl)-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 100637111
N-[(2-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 43221297
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 106370657
6-methoxy-N-(2-methoxyethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43756306
N-[(2,5-difluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79370217
8-chloro-N-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 82461632

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-7-methoxy-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-7-methoxy-3,4-dihydro-2H-chromen-4-amine (CID 82461749) is N-[(2-fluorophenyl)methyl]-7-methoxy-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-7-methoxy-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-7-methoxy-3,4-dihydro-2H-chromen-4-amine is COc1ccc2c(c1)OCCC2NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-7-methoxy-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is VJVWMMONJLSJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-20-13-6-7-14-16(8-9-21-17(14)10-13)19-11-12-4-2-3-5-15(12)18/h2-7,10,16,19H,8-9,11H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-7-methoxy-3,4-dihydro-2H-chromen-4-amine?
N-[(2-fluorophenyl)methyl]-7-methoxy-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 287.33 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-7-methoxy-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 82461749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).