N-(furan-2-ylmethyl)-1-(3-phenylmethoxyphenyl)methanamine;hydrochloride

C19H20ClNO2 — CID 2996544

IUPACN-(furan-2-ylmethyl)-1-(3-phenylmethoxyphenyl)methanamine;hydrochloride
SMILESCl.c1ccc(COc2cccc(CNCc3ccco3)c2)cc1
InChIInChI=1S/C19H19NO2.ClH/c1-2-6-16(7-3-1)15-22-18-9-4-8-17(12-18)13-20-14-19-10-5-11-21-19;/h1-12,20H,13-15H2;1H
InChIKeyGPQWRAKITCDHTN-UHFFFAOYSA-N
MW329.83 g/mol
LogP4.57
Rot. Bonds7

About N-(furan-2-ylmethyl)-1-(3-phenylmethoxyphenyl)methanamine;hydrochloride

N-(furan-2-ylmethyl)-1-(3-phenylmethoxyphenyl)methanamine;hydrochloride (PubChem CID 2996544) has the molecular formula C19H20ClNO2 and a molecular weight of 329.83 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-(3-phenylmethoxyphenyl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-(3-phenylmethoxyphenyl)methanamine;hydrochloride
PubChem CID2996544
Molecular FormulaC19H20ClNO2
Molecular Weight329.83 g/mol
Exact Mass329.12
IUPAC NameN-(furan-2-ylmethyl)-1-(3-phenylmethoxyphenyl)methanamine;hydrochloride
SMILESCl.c1ccc(COc2cccc(CNCc3ccco3)c2)cc1
InChIInChI=1S/C19H19NO2.ClH/c1-2-6-16(7-3-1)15-22-18-9-4-8-17(12-18)13-20-14-19-10-5-11-21-19;/h1-12,20H,13-15H2;1H
InChIKeyGPQWRAKITCDHTN-UHFFFAOYSA-N
XLogP4.57
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-1-[3-[(4-methylphenyl)methoxy]phenyl]methanamine
CID 17055149
N-(furan-2-ylmethyl)-1-(4-phenylmethoxyphenyl)methanamine;hydrochloride
CID 2995197
N-(furan-2-ylmethyl)-1-[3-(2-methylpropoxy)phenyl]methanamine
CID 39360428
1-[3-(2,2-difluoroethoxy)phenyl]-N-(furan-2-ylmethyl)methanamine
CID 119123469
N-(furan-2-ylmethyl)-1-(3-heptoxyphenyl)methanamine
CID 54850246
1-[3-(furan-2-ylmethoxy)phenyl]-N-methylmethanamine;hydrochloride
CID 67855263
N-(furan-2-ylmethyl)-1-[3-(methoxymethyl)phenyl]methanamine
CID 54893676
1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)methanamine
CID 2993502
1-(3-cyclopentyloxyphenyl)-N-(furan-2-ylmethyl)methanamine
CID 39371016
[3-[(furan-2-ylmethylamino)methyl]phenyl] ethanesulfonate
CID 3545443
N-methyl-N'-[(3-phenylmethoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride
CID 17295026
N-[(3-phenylmethoxyphenyl)methyl]butan-1-amine
CID 4722064

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-(3-phenylmethoxyphenyl)methanamine;hydrochloride?
The IUPAC name of N-(furan-2-ylmethyl)-1-(3-phenylmethoxyphenyl)methanamine;hydrochloride (CID 2996544) is N-(furan-2-ylmethyl)-1-(3-phenylmethoxyphenyl)methanamine;hydrochloride.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-(3-phenylmethoxyphenyl)methanamine;hydrochloride?
The canonical SMILES for N-(furan-2-ylmethyl)-1-(3-phenylmethoxyphenyl)methanamine;hydrochloride is Cl.c1ccc(COc2cccc(CNCc3ccco3)c2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-(3-phenylmethoxyphenyl)methanamine;hydrochloride?
The InChIKey is GPQWRAKITCDHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2.ClH/c1-2-6-16(7-3-1)15-22-18-9-4-8-17(12-18)13-20-14-19-10-5-11-21-19;/h1-12,20H,13-15H2;1H.
What are the key properties of N-(furan-2-ylmethyl)-1-(3-phenylmethoxyphenyl)methanamine;hydrochloride?
N-(furan-2-ylmethyl)-1-(3-phenylmethoxyphenyl)methanamine;hydrochloride has a molecular weight of 329.83 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-(3-phenylmethoxyphenyl)methanamine;hydrochloride is sourced from PubChem (CID 2996544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).