N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine

C27H27NO — CID 17054825

IUPACN-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine
SMILESCc1ccc(COc2ccc3ccccc3c2CNC(C)c2ccccc2)cc1
InChIInChI=1S/C27H27NO/c1-20-12-14-22(15-13-20)19-29-27-17-16-24-10-6-7-11-25(24)26(27)18-28-21(2)23-8-4-3-5-9-23/h3-17,21,28H,18-19H2,1-2H3
InChIKeyASKJLZOSJPXSRG-UHFFFAOYSA-N
MW381.52 g/mol
LogP6.58
Rot. Bonds7

About N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine

N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine (PubChem CID 17054825) has the molecular formula C27H27NO and a molecular weight of 381.52 g/mol. Its IUPAC name is N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine.

Molecular Properties

Compound NameN-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine
PubChem CID17054825
Molecular FormulaC27H27NO
Molecular Weight381.52 g/mol
Exact Mass381.21
IUPAC NameN-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine
SMILESCc1ccc(COc2ccc3ccccc3c2CNC(C)c2ccccc2)cc1
InChIInChI=1S/C27H27NO/c1-20-12-14-22(15-13-20)19-29-27-17-16-24-10-6-7-11-25(24)26(27)18-28-21(2)23-8-4-3-5-9-23/h3-17,21,28H,18-19H2,1-2H3
InChIKeyASKJLZOSJPXSRG-UHFFFAOYSA-N
XLogP6.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.52
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine;hydrochloride
CID 17289596
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
N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 17054239
N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]ethanamine
CID 17054851
(1S)-1-phenyl-N-[(2-propoxynaphthalen-1-yl)methyl]ethanamine
CID 29225446
(2S)-1-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol
CID 29186721
1-phenyl-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]ethanamine
CID 54847639
1-[2-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylamino]ethylamino]propan-2-ol
CID 17054897
(1R)-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 29186393
2-[(2-phenylmethoxynaphthalen-1-yl)methylamino]propanoic acid
CID 66527244
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine
CID 4715514

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine?
The IUPAC name of N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine (CID 17054825) is N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine.
What is the SMILES notation for N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine?
The canonical SMILES for N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine is Cc1ccc(COc2ccc3ccccc3c2CNC(C)c2ccccc2)cc1.
What is the InChIKey of N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine?
The InChIKey is ASKJLZOSJPXSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NO/c1-20-12-14-22(15-13-20)19-29-27-17-16-24-10-6-7-11-25(24)26(27)18-28-21(2)23-8-4-3-5-9-23/h3-17,21,28H,18-19H2,1-2H3.
What are the key properties of N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine?
N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine has a molecular weight of 381.52 g/mol, XLogP of 6.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine is sourced from PubChem (CID 17054825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).