N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-fluoroaniline

C16H16FNO — CID 115756557

IUPACN-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-fluoroaniline
SMILESFc1cccc(NCC2CCOc3ccccc32)c1
InChIInChI=1S/C16H16FNO/c17-13-4-3-5-14(10-13)18-11-12-8-9-19-16-7-2-1-6-15(12)16/h1-7,10,12,18H,8-9,11H2
InChIKeyGZUWVBWNSWDNGZ-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.80
Rot. Bonds3

About N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-fluoroaniline

N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-fluoroaniline (PubChem CID 115756557) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-fluoroaniline.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-fluoroaniline
PubChem CID115756557
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC NameN-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-fluoroaniline
SMILESFc1cccc(NCC2CCOc3ccccc32)c1
InChIInChI=1S/C16H16FNO/c17-13-4-3-5-14(10-13)18-11-12-8-9-19-16-7-2-1-6-15(12)16/h1-7,10,12,18H,8-9,11H2
InChIKeyGZUWVBWNSWDNGZ-UHFFFAOYSA-N
XLogP3.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-iodoaniline
CID 104768255
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-propan-2-ylaniline
CID 104768252
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-(methoxymethyl)aniline
CID 115756563
2-bromo-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-5-fluoroaniline
CID 107635746
4-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)aniline
CID 104768223
1-(3,4-dihydro-2H-chromen-4-yl)-3-(3-fluorophenyl)urea
CID 110866586
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine;hydrochloride
CID 165145525
3-(difluoromethoxy)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-nitroaniline
CID 133321069
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-fluorobenzamide
CID 110709244
1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine
CID 63708653
2-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,1-dimethylhydrazine
CID 104768421
N-[[(4S)-7-phenyl-3,4-dihydro-2H-chromen-4-yl]methyl]pyridin-3-amine
CID 129186352

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-fluoroaniline?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-fluoroaniline (CID 115756557) is N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-fluoroaniline.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-fluoroaniline?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-fluoroaniline is Fc1cccc(NCC2CCOc3ccccc32)c1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-fluoroaniline?
The InChIKey is GZUWVBWNSWDNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c17-13-4-3-5-14(10-13)18-11-12-8-9-19-16-7-2-1-6-15(12)16/h1-7,10,12,18H,8-9,11H2.
What are the key properties of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-fluoroaniline?
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-fluoroaniline has a molecular weight of 257.31 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-fluoroaniline is sourced from PubChem (CID 115756557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).