2,6-dichloro-N-[4-(naphthalen-2-ylmethoxy)phenyl]aniline

C23H17Cl2NO — CID 19813720

IUPAC2,6-dichloro-N-[4-(naphthalen-2-ylmethoxy)phenyl]aniline
SMILESClc1cccc(Cl)c1Nc1ccc(OCc2ccc3ccccc3c2)cc1
InChIInChI=1S/C23H17Cl2NO/c24-21-6-3-7-22(25)23(21)26-19-10-12-20(13-11-19)27-15-16-8-9-17-4-1-2-5-18(17)14-16/h1-14,26H,15H2
InChIKeyQRRKRIZPEGAUOV-UHFFFAOYSA-N
MW394.30 g/mol
LogP7.47
Rot. Bonds5

About 2,6-dichloro-N-[4-(naphthalen-2-ylmethoxy)phenyl]aniline

2,6-dichloro-N-[4-(naphthalen-2-ylmethoxy)phenyl]aniline (PubChem CID 19813720) has the molecular formula C23H17Cl2NO and a molecular weight of 394.30 g/mol. Its IUPAC name is 2,6-dichloro-N-[4-(naphthalen-2-ylmethoxy)phenyl]aniline.

Molecular Properties

Compound Name2,6-dichloro-N-[4-(naphthalen-2-ylmethoxy)phenyl]aniline
PubChem CID19813720
Molecular FormulaC23H17Cl2NO
Molecular Weight394.30 g/mol
Exact Mass393.07
IUPAC Name2,6-dichloro-N-[4-(naphthalen-2-ylmethoxy)phenyl]aniline
SMILESClc1cccc(Cl)c1Nc1ccc(OCc2ccc3ccccc3c2)cc1
InChIInChI=1S/C23H17Cl2NO/c24-21-6-3-7-22(25)23(21)26-19-10-12-20(13-11-19)27-15-16-8-9-17-4-1-2-5-18(17)14-16/h1-14,26H,15H2
InChIKeyQRRKRIZPEGAUOV-UHFFFAOYSA-N
XLogP7.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.30
LogP ≤ 57.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

acetic acid;2,6-dichloro-N-[4-[(3-phenoxyphenyl)methoxy]phenyl]aniline
CID 19831510
1,2-bis[4-[[3,5-bis[[3,5-bis(naphthalen-2-ylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]ethane-1,2-dione
CID 102382632
[4-(naphthalen-2-ylmethoxy)phenyl]-phenylmethanone
CID 18956599
1-(naphthalen-2-ylmethoxy)naphthalene
CID 132511538
[3-(naphthalen-2-ylmethoxy)phenyl]methanol
CID 15778115
4-chloro-N-(4-phenylmethoxyphenyl)-1,3,5-triazin-2-amine
CID 22496155
N-hydroxy-N-[[4-(naphthalen-2-ylmethoxy)phenyl]methyl]acetamide
CID 15670559
[4-(naphthalen-2-ylmethoxy)phenyl]methylidenehydrazine
CID 168530218
methyl acetate;[4-(naphthalen-2-ylmethoxy)phenyl]-phenylmethanone
CID 172781894
4-N-(2,6-dichlorophenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,6-diamine
CID 112866265
7-[(3,4-dichlorophenyl)methoxy]naphthalen-2-ol
CID 43326484
6-chloro-N-(4-phenylmethoxyphenyl)pyrimidin-4-amine
CID 130156888

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[4-(naphthalen-2-ylmethoxy)phenyl]aniline?
The IUPAC name of 2,6-dichloro-N-[4-(naphthalen-2-ylmethoxy)phenyl]aniline (CID 19813720) is 2,6-dichloro-N-[4-(naphthalen-2-ylmethoxy)phenyl]aniline.
What is the SMILES notation for 2,6-dichloro-N-[4-(naphthalen-2-ylmethoxy)phenyl]aniline?
The canonical SMILES for 2,6-dichloro-N-[4-(naphthalen-2-ylmethoxy)phenyl]aniline is Clc1cccc(Cl)c1Nc1ccc(OCc2ccc3ccccc3c2)cc1.
What is the InChIKey of 2,6-dichloro-N-[4-(naphthalen-2-ylmethoxy)phenyl]aniline?
The InChIKey is QRRKRIZPEGAUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2NO/c24-21-6-3-7-22(25)23(21)26-19-10-12-20(13-11-19)27-15-16-8-9-17-4-1-2-5-18(17)14-16/h1-14,26H,15H2.
What are the key properties of 2,6-dichloro-N-[4-(naphthalen-2-ylmethoxy)phenyl]aniline?
2,6-dichloro-N-[4-(naphthalen-2-ylmethoxy)phenyl]aniline has a molecular weight of 394.30 g/mol, XLogP of 7.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[4-(naphthalen-2-ylmethoxy)phenyl]aniline is sourced from PubChem (CID 19813720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).