N-[[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline

C26H24ClNO — CID 126126160

IUPACN-[[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline
SMILESCc1cccc(NCc2cc(Cl)ccc2OCc2cccc3ccccc23)c1C
InChIInChI=1S/C26H24ClNO/c1-18-7-5-12-25(19(18)2)28-16-22-15-23(27)13-14-26(22)29-17-21-10-6-9-20-8-3-4-11-24(20)21/h3-15,28H,16-17H2,1-2H3
InChIKeyRDCPOHJIKOKZOM-UHFFFAOYSA-N
MW401.94 g/mol
LogP7.30
Rot. Bonds6

About N-[[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline

N-[[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline (PubChem CID 126126160) has the molecular formula C26H24ClNO and a molecular weight of 401.94 g/mol. Its IUPAC name is N-[[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline.

Molecular Properties

Compound NameN-[[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline
PubChem CID126126160
Molecular FormulaC26H24ClNO
Molecular Weight401.94 g/mol
Exact Mass401.15
IUPAC NameN-[[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline
SMILESCc1cccc(NCc2cc(Cl)ccc2OCc2cccc3ccccc23)c1C
InChIInChI=1S/C26H24ClNO/c1-18-7-5-12-25(19(18)2)28-16-22-15-23(27)13-14-26(22)29-17-21-10-6-9-20-8-3-4-11-24(20)21/h3-15,28H,16-17H2,1-2H3
InChIKeyRDCPOHJIKOKZOM-UHFFFAOYSA-N
XLogP7.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.94
LogP ≤ 57.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,3-dimethylaniline
CID 126127818
N-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline
CID 126118437
N-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126125531
N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126124035
N-[[3,5-dibromo-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline
CID 126125357
N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126118021
N-[[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-2-ethylaniline
CID 126121639
N-[[3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline
CID 126123853
N-[[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,3-dimethylaniline
CID 126116219
N-[[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-3-chloro-4-methylaniline
CID 126128463
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2,3-dimethylaniline
CID 126122980
3-chloro-2-methyl-N-(naphthalen-1-ylmethyl)aniline
CID 28543484

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline?
The IUPAC name of N-[[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline (CID 126126160) is N-[[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline.
What is the SMILES notation for N-[[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline?
The canonical SMILES for N-[[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline is Cc1cccc(NCc2cc(Cl)ccc2OCc2cccc3ccccc23)c1C.
What is the InChIKey of N-[[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline?
The InChIKey is RDCPOHJIKOKZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClNO/c1-18-7-5-12-25(19(18)2)28-16-22-15-23(27)13-14-26(22)29-17-21-10-6-9-20-8-3-4-11-24(20)21/h3-15,28H,16-17H2,1-2H3.
What are the key properties of N-[[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline?
N-[[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline has a molecular weight of 401.94 g/mol, XLogP of 7.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline is sourced from PubChem (CID 126126160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).