N-[(2-phenylmethoxynaphthalen-1-yl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride

C24H23ClN2O — CID 2972927

IUPACN-[(2-phenylmethoxynaphthalen-1-yl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride
SMILESCl.c1ccc(COc2ccc3ccccc3c2CNCc2ccncc2)cc1
InChIInChI=1S/C24H22N2O.ClH/c1-2-6-20(7-3-1)18-27-24-11-10-21-8-4-5-9-22(21)23(24)17-26-16-19-12-14-25-15-13-19;/h1-15,26H,16-18H2;1H
InChIKeyROANCXNQGZUZDG-UHFFFAOYSA-N
MW390.91 g/mol
LogP5.53
Rot. Bonds7

About N-[(2-phenylmethoxynaphthalen-1-yl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride

N-[(2-phenylmethoxynaphthalen-1-yl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride (PubChem CID 2972927) has the molecular formula C24H23ClN2O and a molecular weight of 390.91 g/mol. Its IUPAC name is N-[(2-phenylmethoxynaphthalen-1-yl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(2-phenylmethoxynaphthalen-1-yl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride
PubChem CID2972927
Molecular FormulaC24H23ClN2O
Molecular Weight390.91 g/mol
Exact Mass390.15
IUPAC NameN-[(2-phenylmethoxynaphthalen-1-yl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride
SMILESCl.c1ccc(COc2ccc3ccccc3c2CNCc2ccncc2)cc1
InChIInChI=1S/C24H22N2O.ClH/c1-2-6-20(7-3-1)18-27-24-11-10-21-8-4-5-9-22(21)23(24)17-26-16-19-12-14-25-15-13-19;/h1-15,26H,16-18H2;1H
InChIKeyROANCXNQGZUZDG-UHFFFAOYSA-N
XLogP5.53
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.91
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-1-amine;hydrochloride
CID 17291277
3-methyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]butan-1-amine;hydrochloride
CID 17210424
N',N'-dimethyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethane-1,2-diamine;dihydrochloride
CID 17294780
N-methyl-N'-[(2-phenylmethoxynaphthalen-1-yl)methyl]propane-1,3-diamine;dihydrochloride
CID 17294784
N-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-2-amine;hydrochloride
CID 17155735
N-[(2-butoxynaphthalen-1-yl)methyl]-1-phenylmethanamine
CID 54804070
N',N'-diethyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethane-1,2-diamine;dihydrochloride
CID 17294781
N-[(2-octoxynaphthalen-1-yl)methyl]-1-phenylmethanamine
CID 54803978
1-phenyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine;hydrochloride
CID 17289596
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-2-phenylethanamine
CID 4715865
2-(4-chlorophenyl)-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine
CID 17208421
1-(4-fluorophenyl)-N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride
CID 17293230

Frequently Asked Questions

What is the IUPAC name of N-[(2-phenylmethoxynaphthalen-1-yl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride?
The IUPAC name of N-[(2-phenylmethoxynaphthalen-1-yl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride (CID 2972927) is N-[(2-phenylmethoxynaphthalen-1-yl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride.
What is the SMILES notation for N-[(2-phenylmethoxynaphthalen-1-yl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride?
The canonical SMILES for N-[(2-phenylmethoxynaphthalen-1-yl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride is Cl.c1ccc(COc2ccc3ccccc3c2CNCc2ccncc2)cc1.
What is the InChIKey of N-[(2-phenylmethoxynaphthalen-1-yl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride?
The InChIKey is ROANCXNQGZUZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O.ClH/c1-2-6-20(7-3-1)18-27-24-11-10-21-8-4-5-9-22(21)23(24)17-26-16-19-12-14-25-15-13-19;/h1-15,26H,16-18H2;1H.
What are the key properties of N-[(2-phenylmethoxynaphthalen-1-yl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride?
N-[(2-phenylmethoxynaphthalen-1-yl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride has a molecular weight of 390.91 g/mol, XLogP of 5.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenylmethoxynaphthalen-1-yl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride is sourced from PubChem (CID 2972927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).