1-phenyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine;hydrochloride

C26H26ClNO — CID 17289596

IUPAC1-phenyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine;hydrochloride
SMILESCC(NCc1c(OCc2ccccc2)ccc2ccccc12)c1ccccc1.Cl
InChIInChI=1S/C26H25NO.ClH/c1-20(22-12-6-3-7-13-22)27-18-25-24-15-9-8-14-23(24)16-17-26(25)28-19-21-10-4-2-5-11-21;/h2-17,20,27H,18-19H2,1H3;1H
InChIKeyBMZLHSYTJGQNFK-UHFFFAOYSA-N
MW403.95 g/mol
LogP6.69
Rot. Bonds7

About 1-phenyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine;hydrochloride

1-phenyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine;hydrochloride (PubChem CID 17289596) has the molecular formula C26H26ClNO and a molecular weight of 403.95 g/mol. Its IUPAC name is 1-phenyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-phenyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine;hydrochloride
PubChem CID17289596
Molecular FormulaC26H26ClNO
Molecular Weight403.95 g/mol
Exact Mass403.17
IUPAC Name1-phenyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine;hydrochloride
SMILESCC(NCc1c(OCc2ccccc2)ccc2ccccc12)c1ccccc1.Cl
InChIInChI=1S/C26H25NO.ClH/c1-20(22-12-6-3-7-13-22)27-18-25-24-15-9-8-14-23(24)16-17-26(25)28-19-21-10-4-2-5-11-21;/h2-17,20,27H,18-19H2,1H3;1H
InChIKeyBMZLHSYTJGQNFK-UHFFFAOYSA-N
XLogP6.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.95
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine
CID 17054825
N-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-2-amine;hydrochloride
CID 17155735
(1S)-N-[[2-[(2,6-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine
CID 51991944
(1S)-1-phenyl-N-[(2-propoxynaphthalen-1-yl)methyl]ethanamine
CID 29225446
2-[(2-phenylmethoxynaphthalen-1-yl)methylamino]propanoic acid
CID 66527244
1-phenyl-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]ethanamine
CID 54847639
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-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine
CID 4715514
N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17155741
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17156022
(1S)-1-phenyl-N-[(2-phenylmethoxyphenyl)methyl]ethanamine
CID 40761616

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine;hydrochloride?
The IUPAC name of 1-phenyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine;hydrochloride (CID 17289596) is 1-phenyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine;hydrochloride.
What is the SMILES notation for 1-phenyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine;hydrochloride?
The canonical SMILES for 1-phenyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine;hydrochloride is CC(NCc1c(OCc2ccccc2)ccc2ccccc12)c1ccccc1.Cl.
What is the InChIKey of 1-phenyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine;hydrochloride?
The InChIKey is BMZLHSYTJGQNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO.ClH/c1-20(22-12-6-3-7-13-22)27-18-25-24-15-9-8-14-23(24)16-17-26(25)28-19-21-10-4-2-5-11-21;/h2-17,20,27H,18-19H2,1H3;1H.
What are the key properties of 1-phenyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine;hydrochloride?
1-phenyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine;hydrochloride has a molecular weight of 403.95 g/mol, XLogP of 6.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine;hydrochloride is sourced from PubChem (CID 17289596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).