N-[[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-2-ethylaniline

C26H24BrNO — CID 126121639

IUPACN-[[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-2-ethylaniline
SMILESCCc1ccccc1NCc1cc(Br)ccc1OCc1cccc2ccccc12
InChIInChI=1S/C26H24BrNO/c1-2-19-8-4-6-13-25(19)28-17-22-16-23(27)14-15-26(22)29-18-21-11-7-10-20-9-3-5-12-24(20)21/h3-16,28H,2,17-18H2,1H3
InChIKeyIQTLUMSRWBNTHQ-UHFFFAOYSA-N
MW446.39 g/mol
LogP7.36
Rot. Bonds7

About N-[[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-2-ethylaniline

N-[[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-2-ethylaniline (PubChem CID 126121639) has the molecular formula C26H24BrNO and a molecular weight of 446.39 g/mol. Its IUPAC name is N-[[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-2-ethylaniline.

Molecular Properties

Compound NameN-[[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-2-ethylaniline
PubChem CID126121639
Molecular FormulaC26H24BrNO
Molecular Weight446.39 g/mol
Exact Mass445.10
IUPAC NameN-[[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-2-ethylaniline
SMILESCCc1ccccc1NCc1cc(Br)ccc1OCc1cccc2ccccc12
InChIInChI=1S/C26H24BrNO/c1-2-19-8-4-6-13-25(19)28-17-22-16-23(27)14-15-26(22)29-18-21-11-7-10-20-9-3-5-12-24(20)21/h3-16,28H,2,17-18H2,1H3
InChIKeyIQTLUMSRWBNTHQ-UHFFFAOYSA-N
XLogP7.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.39
LogP ≤ 57.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-ethoxyphenyl)methyl]-2-ethylaniline
CID 126121511
N-[[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-3-chloro-4-methylaniline
CID 126128463
N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-chloroaniline
CID 126184009
N-[[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline
CID 126126160
N-[[3,5-dibromo-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline
CID 126125357
4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethylaniline
CID 81291722
N-[(5-bromo-2-propoxyphenyl)methyl]-2-methylaniline
CID 43766070
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-2-chloroaniline
CID 126187569
N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethoxyaniline
CID 43088137
5-bromo-2-ethoxy-N-naphthalen-1-ylbenzenesulfonamide
CID 2394336
N-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline
CID 126118437
4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethylaniline
CID 81289888

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-2-ethylaniline?
The IUPAC name of N-[[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-2-ethylaniline (CID 126121639) is N-[[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-2-ethylaniline.
What is the SMILES notation for N-[[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-2-ethylaniline?
The canonical SMILES for N-[[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-2-ethylaniline is CCc1ccccc1NCc1cc(Br)ccc1OCc1cccc2ccccc12.
What is the InChIKey of N-[[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-2-ethylaniline?
The InChIKey is IQTLUMSRWBNTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24BrNO/c1-2-19-8-4-6-13-25(19)28-17-22-16-23(27)14-15-26(22)29-18-21-11-7-10-20-9-3-5-12-24(20)21/h3-16,28H,2,17-18H2,1H3.
What are the key properties of N-[[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-2-ethylaniline?
N-[[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-2-ethylaniline has a molecular weight of 446.39 g/mol, XLogP of 7.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-2-ethylaniline is sourced from PubChem (CID 126121639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).