2-(4-chlorophenyl)-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine

C26H24ClNO — CID 17208421

IUPAC2-(4-chlorophenyl)-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine
SMILESClc1ccc(CCNCc2c(OCc3ccccc3)ccc3ccccc23)cc1
InChIInChI=1S/C26H24ClNO/c27-23-13-10-20(11-14-23)16-17-28-18-25-24-9-5-4-8-22(24)12-15-26(25)29-19-21-6-2-1-3-7-21/h1-15,28H,16-19H2
InChIKeyFFWGFKXIZOWNLC-UHFFFAOYSA-N
MW401.94 g/mol
LogP6.40
Rot. Bonds8

About 2-(4-chlorophenyl)-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine

2-(4-chlorophenyl)-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine (PubChem CID 17208421) has the molecular formula C26H24ClNO and a molecular weight of 401.94 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine
PubChem CID17208421
Molecular FormulaC26H24ClNO
Molecular Weight401.94 g/mol
Exact Mass401.15
IUPAC Name2-(4-chlorophenyl)-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine
SMILESClc1ccc(CCNCc2c(OCc3ccccc3)ccc3ccccc23)cc1
InChIInChI=1S/C26H24ClNO/c27-23-13-10-20(11-14-23)16-17-28-18-25-24-9-5-4-8-22(24)12-15-26(25)29-19-21-6-2-1-3-7-21/h1-15,28H,16-19H2
InChIKeyFFWGFKXIZOWNLC-UHFFFAOYSA-N
XLogP6.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.94
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-2-phenylethanamine
CID 4715865
2-[2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethylamino]ethanol;dihydrochloride
CID 17294792
2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]acetic acid
CID 66527086
1-(2-chlorophenyl)-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride
CID 17289773
N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-pyridin-2-yloxyethanamine
CID 66526135
2-(2,4-dichlorophenyl)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine;hydrochloride
CID 17209736
2-(4-chlorophenyl)-N-[(2-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17208380
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
3-methyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]butan-1-amine;hydrochloride
CID 17210424
2-(2-fluorophenyl)-N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]ethanamine
CID 17054879
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-phenylethanamine;hydrochloride
CID 17289851

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine?
The IUPAC name of 2-(4-chlorophenyl)-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine (CID 17208421) is 2-(4-chlorophenyl)-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine is Clc1ccc(CCNCc2c(OCc3ccccc3)ccc3ccccc23)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine?
The InChIKey is FFWGFKXIZOWNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClNO/c27-23-13-10-20(11-14-23)16-17-28-18-25-24-9-5-4-8-22(24)12-15-26(25)29-19-21-6-2-1-3-7-21/h1-15,28H,16-19H2.
What are the key properties of 2-(4-chlorophenyl)-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine?
2-(4-chlorophenyl)-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine has a molecular weight of 401.94 g/mol, XLogP of 6.40, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine is sourced from PubChem (CID 17208421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).