N-[(2-fluoro-4-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine

C17H18FNO — CID 102876223

IUPACN-[(2-fluoro-4-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine
SMILESCOc1ccc(CNc2ccc3c(c2)CCC3)c(F)c1
InChIInChI=1S/C17H18FNO/c1-20-16-8-6-14(17(18)10-16)11-19-15-7-5-12-3-2-4-13(12)9-15/h5-10,19H,2-4,11H2,1H3
InChIKeyQUNATNGEDXTASG-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.94
Rot. Bonds4

About N-[(2-fluoro-4-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine

N-[(2-fluoro-4-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine (PubChem CID 102876223) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is N-[(2-fluoro-4-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine.

Molecular Properties

Compound NameN-[(2-fluoro-4-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine
PubChem CID102876223
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC NameN-[(2-fluoro-4-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine
SMILESCOc1ccc(CNc2ccc3c(c2)CCC3)c(F)c1
InChIInChI=1S/C17H18FNO/c1-20-16-8-6-14(17(18)10-16)11-19-15-7-5-12-3-2-4-13(12)9-15/h5-10,19H,2-4,11H2,1H3
InChIKeyQUNATNGEDXTASG-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-fluoro-4-methoxyphenyl)methylamino]benzene-1,2-dicarbonitrile
CID 107789219
N-[(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-amine
CID 114841362
N-[(5-bromo-2-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine
CID 784383
N-[(2-bromo-5-methoxyphenyl)methyl]-4-chloro-3-fluoroaniline
CID 65324117
5-chloro-2-fluoro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline
CID 102876267
2-[(3-fluoro-4-methoxyanilino)methyl]-5-methoxyphenol
CID 61263249
methyl 2-[(2,3-dihydro-1H-inden-5-ylamino)methyl]benzoate
CID 43760885
N-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine
CID 115197636
2-[(4-fluoroanilino)methyl]-5-methoxyphenol
CID 61270048
4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2-fluorophenol
CID 107685267
N-[(2-fluoro-4-methoxyphenyl)methyl]-2-piperidin-1-ylethanamine
CID 102876339
N'-(2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine
CID 59229873

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-4-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine?
The IUPAC name of N-[(2-fluoro-4-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine (CID 102876223) is N-[(2-fluoro-4-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine.
What is the SMILES notation for N-[(2-fluoro-4-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine?
The canonical SMILES for N-[(2-fluoro-4-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine is COc1ccc(CNc2ccc3c(c2)CCC3)c(F)c1.
What is the InChIKey of N-[(2-fluoro-4-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine?
The InChIKey is QUNATNGEDXTASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-20-16-8-6-14(17(18)10-16)11-19-15-7-5-12-3-2-4-13(12)9-15/h5-10,19H,2-4,11H2,1H3.
What are the key properties of N-[(2-fluoro-4-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine?
N-[(2-fluoro-4-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine has a molecular weight of 271.34 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-4-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine is sourced from PubChem (CID 102876223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).