N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]naphthalen-1-amine

C26H24ClNO2 — CID 66542788

IUPACN-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]naphthalen-1-amine
SMILESCCOc1cc(CNc2cccc3ccccc23)c(Cl)cc1OCc1ccccc1
InChIInChI=1S/C26H24ClNO2/c1-2-29-25-15-21(17-28-24-14-8-12-20-11-6-7-13-22(20)24)23(27)16-26(25)30-18-19-9-4-3-5-10-19/h3-16,28H,2,17-18H2,1H3
InChIKeyZPTYMIJPCLAKEO-UHFFFAOYSA-N
MW417.94 g/mol
LogP7.08
Rot. Bonds8

About N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]naphthalen-1-amine

N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]naphthalen-1-amine (PubChem CID 66542788) has the molecular formula C26H24ClNO2 and a molecular weight of 417.94 g/mol. Its IUPAC name is N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]naphthalen-1-amine
PubChem CID66542788
Molecular FormulaC26H24ClNO2
Molecular Weight417.94 g/mol
Exact Mass417.15
IUPAC NameN-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]naphthalen-1-amine
SMILESCCOc1cc(CNc2cccc3ccccc23)c(Cl)cc1OCc1ccccc1
InChIInChI=1S/C26H24ClNO2/c1-2-29-25-15-21(17-28-24-14-8-12-20-11-6-7-13-22(20)24)23(27)16-26(25)30-18-19-9-4-3-5-10-19/h3-16,28H,2,17-18H2,1H3
InChIKeyZPTYMIJPCLAKEO-UHFFFAOYSA-N
XLogP7.08
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.94
LogP ≤ 57.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]aniline
CID 66542326
N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-4-fluoroaniline
CID 66542323
N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]naphthalen-1-amine
CID 66542705
1-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-phenylhydrazine
CID 169386421
N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-1,3-thiazol-2-amine
CID 66542324
4-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]benzoic acid
CID 66542477
N-[4-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]phenyl]acetamide
CID 66542397
2,5-dichloro-N-[[2-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]aniline
CID 66540746
N-[(2-chloro-4,5-diethoxyphenyl)methyl]aniline
CID 66541803
N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]pentan-1-amine
CID 66530681
2-chloro-4-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]benzoic acid
CID 66542751
2-[2-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]ethylamino]ethanol
CID 66537637

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]naphthalen-1-amine?
The IUPAC name of N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]naphthalen-1-amine (CID 66542788) is N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]naphthalen-1-amine.
What is the SMILES notation for N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]naphthalen-1-amine?
The canonical SMILES for N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]naphthalen-1-amine is CCOc1cc(CNc2cccc3ccccc23)c(Cl)cc1OCc1ccccc1.
What is the InChIKey of N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]naphthalen-1-amine?
The InChIKey is ZPTYMIJPCLAKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClNO2/c1-2-29-25-15-21(17-28-24-14-8-12-20-11-6-7-13-22(20)24)23(27)16-26(25)30-18-19-9-4-3-5-10-19/h3-16,28H,2,17-18H2,1H3.
What are the key properties of N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]naphthalen-1-amine?
N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]naphthalen-1-amine has a molecular weight of 417.94 g/mol, XLogP of 7.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]naphthalen-1-amine is sourced from PubChem (CID 66542788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).