1-(2-methoxyphenyl)-N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride

C27H28ClNO2 — CID 17208275

IUPAC1-(2-methoxyphenyl)-N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride
SMILESCOc1ccccc1CNCc1c(OCc2ccc(C)cc2)ccc2ccccc12.Cl
InChIInChI=1S/C27H27NO2.ClH/c1-20-11-13-21(14-12-20)19-30-27-16-15-22-7-3-5-9-24(22)25(27)18-28-17-23-8-4-6-10-26(23)29-2;/h3-16,28H,17-19H2,1-2H3;1H
InChIKeyIKTGGJOZPCFFCJ-UHFFFAOYSA-N
MW433.98 g/mol
LogP6.45
Rot. Bonds8

About 1-(2-methoxyphenyl)-N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride

1-(2-methoxyphenyl)-N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride (PubChem CID 17208275) has the molecular formula C27H28ClNO2 and a molecular weight of 433.98 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride
PubChem CID17208275
Molecular FormulaC27H28ClNO2
Molecular Weight433.98 g/mol
Exact Mass433.18
IUPAC Name1-(2-methoxyphenyl)-N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride
SMILESCOc1ccccc1CNCc1c(OCc2ccc(C)cc2)ccc2ccccc12.Cl
InChIInChI=1S/C27H27NO2.ClH/c1-20-11-13-21(14-12-20)19-30-27-16-15-22-7-3-5-9-24(22)25(27)18-28-17-23-8-4-6-10-26(23)29-2;/h3-16,28H,17-19H2,1-2H3;1H
InChIKeyIKTGGJOZPCFFCJ-UHFFFAOYSA-N
XLogP6.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.98
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-methoxyphenyl)-N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride with MolForge

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Related Compounds

N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]ethanamine
CID 17054851
(2S)-1-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol
CID 29186721
2-(2-fluorophenyl)-N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]ethanamine
CID 17054879
N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]heptan-1-amine;hydrochloride
CID 17054858
1-(4-methoxyphenyl)-N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]methanamine
CID 17054326
N-[(2-ethoxynaphthalen-1-yl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17332522
1-(2-chlorophenyl)-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride
CID 17289773
1-[2-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylamino]ethylamino]propan-2-ol
CID 17054897
N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride
CID 17209098
2-[3-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylamino]propylamino]ethanol
CID 17214333
N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]cyclopentanamine;hydrochloride
CID 17054828
3-ethoxy-N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]propan-1-amine
CID 17054847

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride?
The IUPAC name of 1-(2-methoxyphenyl)-N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride (CID 17208275) is 1-(2-methoxyphenyl)-N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride?
The canonical SMILES for 1-(2-methoxyphenyl)-N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride is COc1ccccc1CNCc1c(OCc2ccc(C)cc2)ccc2ccccc12.Cl.
What is the InChIKey of 1-(2-methoxyphenyl)-N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride?
The InChIKey is IKTGGJOZPCFFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NO2.ClH/c1-20-11-13-21(14-12-20)19-30-27-16-15-22-7-3-5-9-24(22)25(27)18-28-17-23-8-4-6-10-26(23)29-2;/h3-16,28H,17-19H2,1-2H3;1H.
What are the key properties of 1-(2-methoxyphenyl)-N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride?
1-(2-methoxyphenyl)-N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride has a molecular weight of 433.98 g/mol, XLogP of 6.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride is sourced from PubChem (CID 17208275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).