2-chloro-N-[[4-(naphthalen-1-ylmethoxy)phenyl]methyl]aniline

C24H20ClNO — CID 126186089

IUPAC2-chloro-N-[[4-(naphthalen-1-ylmethoxy)phenyl]methyl]aniline
SMILESClc1ccccc1NCc1ccc(OCc2cccc3ccccc23)cc1
InChIInChI=1S/C24H20ClNO/c25-23-10-3-4-11-24(23)26-16-18-12-14-21(15-13-18)27-17-20-8-5-7-19-6-1-2-9-22(19)20/h1-15,26H,16-17H2
InChIKeyTZOGTEVFQMXJGD-UHFFFAOYSA-N
MW373.88 g/mol
LogP6.68
Rot. Bonds6

About 2-chloro-N-[[4-(naphthalen-1-ylmethoxy)phenyl]methyl]aniline

2-chloro-N-[[4-(naphthalen-1-ylmethoxy)phenyl]methyl]aniline (PubChem CID 126186089) has the molecular formula C24H20ClNO and a molecular weight of 373.88 g/mol. Its IUPAC name is 2-chloro-N-[[4-(naphthalen-1-ylmethoxy)phenyl]methyl]aniline.

Molecular Properties

Compound Name2-chloro-N-[[4-(naphthalen-1-ylmethoxy)phenyl]methyl]aniline
PubChem CID126186089
Molecular FormulaC24H20ClNO
Molecular Weight373.88 g/mol
Exact Mass373.12
IUPAC Name2-chloro-N-[[4-(naphthalen-1-ylmethoxy)phenyl]methyl]aniline
SMILESClc1ccccc1NCc1ccc(OCc2cccc3ccccc23)cc1
InChIInChI=1S/C24H20ClNO/c25-23-10-3-4-11-24(23)26-16-18-12-14-21(15-13-18)27-17-20-8-5-7-19-6-1-2-9-22(19)20/h1-15,26H,16-17H2
InChIKeyTZOGTEVFQMXJGD-UHFFFAOYSA-N
XLogP6.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.88
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]aniline
CID 126186662
1-(phenoxymethyl)naphthalene
CID 588110
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine
CID 4721378
3-chloro-N-[[3-chloro-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-2-methylaniline
CID 126117260
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline
CID 126121696
N-[[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,4-dimethylaniline
CID 126125999
4-(naphthalen-1-ylmethoxy)-N-phenylaniline
CID 145256438
1-[4-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 107305705
1,4-bis[(2-chlorophenyl)methoxy]benzene
CID 18515510
3-chloro-2-methyl-N-(naphthalen-1-ylmethyl)aniline
CID 28543484
3-chloro-N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126118289
4-methoxy-N-[[3-(naphthalen-1-ylmethoxy)phenyl]methyl]aniline
CID 126124121

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[4-(naphthalen-1-ylmethoxy)phenyl]methyl]aniline?
The IUPAC name of 2-chloro-N-[[4-(naphthalen-1-ylmethoxy)phenyl]methyl]aniline (CID 126186089) is 2-chloro-N-[[4-(naphthalen-1-ylmethoxy)phenyl]methyl]aniline.
What is the SMILES notation for 2-chloro-N-[[4-(naphthalen-1-ylmethoxy)phenyl]methyl]aniline?
The canonical SMILES for 2-chloro-N-[[4-(naphthalen-1-ylmethoxy)phenyl]methyl]aniline is Clc1ccccc1NCc1ccc(OCc2cccc3ccccc23)cc1.
What is the InChIKey of 2-chloro-N-[[4-(naphthalen-1-ylmethoxy)phenyl]methyl]aniline?
The InChIKey is TZOGTEVFQMXJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClNO/c25-23-10-3-4-11-24(23)26-16-18-12-14-21(15-13-18)27-17-20-8-5-7-19-6-1-2-9-22(19)20/h1-15,26H,16-17H2.
What are the key properties of 2-chloro-N-[[4-(naphthalen-1-ylmethoxy)phenyl]methyl]aniline?
2-chloro-N-[[4-(naphthalen-1-ylmethoxy)phenyl]methyl]aniline has a molecular weight of 373.88 g/mol, XLogP of 6.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[4-(naphthalen-1-ylmethoxy)phenyl]methyl]aniline is sourced from PubChem (CID 126186089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).