N-[(2-ethoxynaphthalen-1-yl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride

C21H24ClNO — CID 17332522

IUPACN-[(2-ethoxynaphthalen-1-yl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride
SMILESCCOc1ccc2ccccc2c1CNCc1ccc(C)cc1.Cl
InChIInChI=1S/C21H23NO.ClH/c1-3-23-21-13-12-18-6-4-5-7-19(18)20(21)15-22-14-17-10-8-16(2)9-11-17;/h4-13,22H,3,14-15H2,1-2H3;1H
InChIKeyLFLSGMFDGFKICD-UHFFFAOYSA-N
MW341.88 g/mol
LogP5.26
Rot. Bonds6

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

N-[(2-ethoxynaphthalen-1-yl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride (PubChem CID 17332522) has the molecular formula C21H24ClNO and a molecular weight of 341.88 g/mol. Its IUPAC name is N-[(2-ethoxynaphthalen-1-yl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-[(2-ethoxynaphthalen-1-yl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride
PubChem CID17332522
Molecular FormulaC21H24ClNO
Molecular Weight341.88 g/mol
Exact Mass341.15
IUPAC NameN-[(2-ethoxynaphthalen-1-yl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride
SMILESCCOc1ccc2ccccc2c1CNCc1ccc(C)cc1.Cl
InChIInChI=1S/C21H23NO.ClH/c1-3-23-21-13-12-18-6-4-5-7-19(18)20(21)15-22-14-17-10-8-16(2)9-11-17;/h4-13,22H,3,14-15H2,1-2H3;1H
InChIKeyLFLSGMFDGFKICD-UHFFFAOYSA-N
XLogP5.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.88
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]ethanamine
CID 17054851
N'-[(2-ethoxynaphthalen-1-yl)methyl]-N-ethylpropane-1,3-diamine;dihydrochloride
CID 17215613
N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]heptan-1-amine;hydrochloride
CID 17054858
1-(2-methoxyphenyl)-N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride
CID 17208275
N-[(2-butoxynaphthalen-1-yl)methyl]-1-phenylmethanamine
CID 54804070
3-ethoxy-N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]propan-1-amine
CID 17054847
N-[(2-ethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 6462036
N-[(2-ethoxynaphthalen-1-yl)methyl]-1-(furan-2-yl)methanamine
CID 4723209
N-[(2-octoxynaphthalen-1-yl)methyl]-1-phenylmethanamine
CID 54803978
1-(4-fluorophenyl)-N-[(2-pentoxynaphthalen-1-yl)methyl]methanamine
CID 54803956
N-[(2-ethoxynaphthalen-1-yl)methyl]octan-1-amine
CID 4722807
N-[(2-ethoxynaphthalen-1-yl)methyl]-4-ethylaniline
CID 126125026

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxynaphthalen-1-yl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride?
The IUPAC name of N-[(2-ethoxynaphthalen-1-yl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride (CID 17332522) is N-[(2-ethoxynaphthalen-1-yl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride.
What is the SMILES notation for N-[(2-ethoxynaphthalen-1-yl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride?
The canonical SMILES for N-[(2-ethoxynaphthalen-1-yl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride is CCOc1ccc2ccccc2c1CNCc1ccc(C)cc1.Cl.
What is the InChIKey of N-[(2-ethoxynaphthalen-1-yl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride?
The InChIKey is LFLSGMFDGFKICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO.ClH/c1-3-23-21-13-12-18-6-4-5-7-19(18)20(21)15-22-14-17-10-8-16(2)9-11-17;/h4-13,22H,3,14-15H2,1-2H3;1H.
What are the key properties of N-[(2-ethoxynaphthalen-1-yl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride?
N-[(2-ethoxynaphthalen-1-yl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride has a molecular weight of 341.88 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxynaphthalen-1-yl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride is sourced from PubChem (CID 17332522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).