5-fluoro-N-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-inden-1-amine

C17H18FNO — CID 115918170

IUPAC5-fluoro-N-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-inden-1-amine
SMILESCOCc1cccc(NC2CCc3cc(F)ccc32)c1
InChIInChI=1S/C17H18FNO/c1-20-11-12-3-2-4-15(9-12)19-17-8-5-13-10-14(18)6-7-16(13)17/h2-4,6-7,9-10,17,19H,5,8,11H2,1H3
InChIKeyZDOWSIOARKSNPE-UHFFFAOYSA-N
MW271.34 g/mol
LogP4.07
Rot. Bonds4

About 5-fluoro-N-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-inden-1-amine

5-fluoro-N-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 115918170) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is 5-fluoro-N-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-fluoro-N-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID115918170
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name5-fluoro-N-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-inden-1-amine
SMILESCOCc1cccc(NC2CCc3cc(F)ccc32)c1
InChIInChI=1S/C17H18FNO/c1-20-11-12-3-2-4-15(9-12)19-17-8-5-13-10-14(18)6-7-16(13)17/h2-4,6-7,9-10,17,19H,5,8,11H2,1H3
InChIKeyZDOWSIOARKSNPE-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-inden-1-amine
CID 43672235
5-fluoro-N-(3-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine
CID 115916737
N-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-N'-[3-(methoxymethyl)phenyl]oxamide
CID 95615042
5-fluoro-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-amine
CID 116530756
N-[3-(methoxymethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62841936
3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid
CID 116530834
N-(4-ethoxyphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 115915933
5-fluoro-N-phenylmethoxy-2,3-dihydro-1H-inden-1-amine
CID 116531102
5-fluoro-N-(4-iodophenyl)-2,3-dihydro-1H-inden-1-amine
CID 116530824
2-iodo-N-[3-(methoxymethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82686767
N-(3-fluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79367397
N-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116531042

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-fluoro-N-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-inden-1-amine (CID 115918170) is 5-fluoro-N-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-fluoro-N-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-fluoro-N-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-inden-1-amine is COCc1cccc(NC2CCc3cc(F)ccc32)c1.
What is the InChIKey of 5-fluoro-N-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is ZDOWSIOARKSNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-20-11-12-3-2-4-15(9-12)19-17-8-5-13-10-14(18)6-7-16(13)17/h2-4,6-7,9-10,17,19H,5,8,11H2,1H3.
What are the key properties of 5-fluoro-N-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-inden-1-amine?
5-fluoro-N-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 271.34 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 115918170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).