N-[[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,4-dimethylaniline

C26H24ClNO — CID 126125999

IUPACN-[[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,4-dimethylaniline
SMILESCc1ccc(NCc2ccc(OCc3cccc4ccccc34)c(Cl)c2)c(C)c1
InChIInChI=1S/C26H24ClNO/c1-18-10-12-25(19(2)14-18)28-16-20-11-13-26(24(27)15-20)29-17-22-8-5-7-21-6-3-4-9-23(21)22/h3-15,28H,16-17H2,1-2H3
InChIKeyQJDRSIHYGQEMQO-UHFFFAOYSA-N
MW401.94 g/mol
LogP7.30
Rot. Bonds6

About N-[[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,4-dimethylaniline

N-[[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,4-dimethylaniline (PubChem CID 126125999) has the molecular formula C26H24ClNO and a molecular weight of 401.94 g/mol. Its IUPAC name is N-[[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,4-dimethylaniline.

Molecular Properties

Compound NameN-[[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,4-dimethylaniline
PubChem CID126125999
Molecular FormulaC26H24ClNO
Molecular Weight401.94 g/mol
Exact Mass401.15
IUPAC NameN-[[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,4-dimethylaniline
SMILESCc1ccc(NCc2ccc(OCc3cccc4ccccc34)c(Cl)c2)c(C)c1
InChIInChI=1S/C26H24ClNO/c1-18-10-12-25(19(2)14-18)28-16-20-11-13-26(24(27)15-20)29-17-22-8-5-7-21-6-3-4-9-23(21)22/h3-15,28H,16-17H2,1-2H3
InChIKeyQJDRSIHYGQEMQO-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-[[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
CID 126115738
1-[[4-(bromomethyl)-2-chlorophenoxy]methyl]naphthalene
CID 63534211
1-[(2,5-dimethylphenoxy)methyl]naphthalene
CID 78906369
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline
CID 126118745
N-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline
CID 126118437
1-[[2-(chloromethyl)-4-methylphenoxy]methyl]naphthalene
CID 63536076
N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
CID 126119576
2-chloro-N-[[4-(naphthalen-1-ylmethoxy)phenyl]methyl]aniline
CID 126186089
N-[[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline
CID 126126160
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
CID 126123799
N-[[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
CID 126120045
3-chloro-N-[[3-chloro-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-2-methylaniline
CID 126117260

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,4-dimethylaniline?
The IUPAC name of N-[[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,4-dimethylaniline (CID 126125999) is N-[[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,4-dimethylaniline.
What is the SMILES notation for N-[[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,4-dimethylaniline?
The canonical SMILES for N-[[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,4-dimethylaniline is Cc1ccc(NCc2ccc(OCc3cccc4ccccc34)c(Cl)c2)c(C)c1.
What is the InChIKey of N-[[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,4-dimethylaniline?
The InChIKey is QJDRSIHYGQEMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClNO/c1-18-10-12-25(19(2)14-18)28-16-20-11-13-26(24(27)15-20)29-17-22-8-5-7-21-6-3-4-9-23(21)22/h3-15,28H,16-17H2,1-2H3.
What are the key properties of N-[[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,4-dimethylaniline?
N-[[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,4-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-[[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,4-dimethylaniline is sourced from PubChem (CID 126125999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).