N-(furan-3-ylmethyl)-1-(3-naphthalen-1-yloxyphenyl)methanamine

C22H19NO2 — CID 167923420

IUPACN-(furan-3-ylmethyl)-1-(3-naphthalen-1-yloxyphenyl)methanamine
SMILESc1cc(CNCc2ccoc2)cc(Oc2cccc3ccccc23)c1
InChIInChI=1S/C22H19NO2/c1-2-9-21-19(6-1)7-4-10-22(21)25-20-8-3-5-17(13-20)14-23-15-18-11-12-24-16-18/h1-13,16,23H,14-15H2
InChIKeyNQTXIHBMKVYDBG-UHFFFAOYSA-N
MW329.40 g/mol
LogP5.51
Rot. Bonds6

About N-(furan-3-ylmethyl)-1-(3-naphthalen-1-yloxyphenyl)methanamine

N-(furan-3-ylmethyl)-1-(3-naphthalen-1-yloxyphenyl)methanamine (PubChem CID 167923420) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-1-(3-naphthalen-1-yloxyphenyl)methanamine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-1-(3-naphthalen-1-yloxyphenyl)methanamine
PubChem CID167923420
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC NameN-(furan-3-ylmethyl)-1-(3-naphthalen-1-yloxyphenyl)methanamine
SMILESc1cc(CNCc2ccoc2)cc(Oc2cccc3ccccc23)c1
InChIInChI=1S/C22H19NO2/c1-2-9-21-19(6-1)7-4-10-22(21)25-20-8-3-5-17(13-20)14-23-15-18-11-12-24-16-18/h1-13,16,23H,14-15H2
InChIKeyNQTXIHBMKVYDBG-UHFFFAOYSA-N
XLogP5.51
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.40
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-3-ylmethyl)-2-naphthalen-1-yloxyethanamine
CID 62571544
1-(furan-3-yl)-N-(furan-3-ylmethyl)methanamine
CID 115607346
1-[[3-(difluoromethoxy)phenyl]methyl]-3-(furan-3-ylmethyl)urea
CID 49479533
1-[3-(furan-3-ylmethoxy)phenyl]-N-methylmethanamine
CID 106486019
1-(furan-3-yl)-N-(isoquinolin-5-ylmethyl)methanamine
CID 113381709
N,N-dimethyl-1-(3-naphthalen-1-yloxyphenyl)propan-2-amine;hydrochloride
CID 175007063
N-[[3-(2-chlorophenoxy)phenyl]methyl]propan-1-amine
CID 63944074
N-[[3-(2-methylphenoxy)phenyl]methyl]propan-2-amine
CID 63942707
1-(3-methoxyphenyl)-N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]methanamine
CID 56672478
2,6-dibromo-4-[(furan-3-ylmethylamino)methyl]phenol
CID 113224538
N-methyl-1-(2-methyl-4-naphthalen-1-yloxyphenyl)methanamine
CID 63552196
1-(furan-3-yl)-N-(quinolin-8-ylmethyl)methanamine
CID 113224554

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-1-(3-naphthalen-1-yloxyphenyl)methanamine?
The IUPAC name of N-(furan-3-ylmethyl)-1-(3-naphthalen-1-yloxyphenyl)methanamine (CID 167923420) is N-(furan-3-ylmethyl)-1-(3-naphthalen-1-yloxyphenyl)methanamine.
What is the SMILES notation for N-(furan-3-ylmethyl)-1-(3-naphthalen-1-yloxyphenyl)methanamine?
The canonical SMILES for N-(furan-3-ylmethyl)-1-(3-naphthalen-1-yloxyphenyl)methanamine is c1cc(CNCc2ccoc2)cc(Oc2cccc3ccccc23)c1.
What is the InChIKey of N-(furan-3-ylmethyl)-1-(3-naphthalen-1-yloxyphenyl)methanamine?
The InChIKey is NQTXIHBMKVYDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO2/c1-2-9-21-19(6-1)7-4-10-22(21)25-20-8-3-5-17(13-20)14-23-15-18-11-12-24-16-18/h1-13,16,23H,14-15H2.
What are the key properties of N-(furan-3-ylmethyl)-1-(3-naphthalen-1-yloxyphenyl)methanamine?
N-(furan-3-ylmethyl)-1-(3-naphthalen-1-yloxyphenyl)methanamine has a molecular weight of 329.40 g/mol, XLogP of 5.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-1-(3-naphthalen-1-yloxyphenyl)methanamine is sourced from PubChem (CID 167923420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).