N-[(4-bromophenyl)methyl]-4-[2-(dimethylamino)ethoxy]aniline

C17H21BrN2O — CID 60942295

IUPACN-[(4-bromophenyl)methyl]-4-[2-(dimethylamino)ethoxy]aniline
SMILESCN(C)CCOc1ccc(NCc2ccc(Br)cc2)cc1
InChIInChI=1S/C17H21BrN2O/c1-20(2)11-12-21-17-9-7-16(8-10-17)19-13-14-3-5-15(18)6-4-14/h3-10,19H,11-13H2,1-2H3
InChIKeyUAFCKDCLOAIKTA-UHFFFAOYSA-N
MW349.27 g/mol
LogP4.00
Rot. Bonds7

About N-[(4-bromophenyl)methyl]-4-[2-(dimethylamino)ethoxy]aniline

N-[(4-bromophenyl)methyl]-4-[2-(dimethylamino)ethoxy]aniline (PubChem CID 60942295) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-4-[2-(dimethylamino)ethoxy]aniline.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-4-[2-(dimethylamino)ethoxy]aniline
PubChem CID60942295
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC NameN-[(4-bromophenyl)methyl]-4-[2-(dimethylamino)ethoxy]aniline
SMILESCN(C)CCOc1ccc(NCc2ccc(Br)cc2)cc1
InChIInChI=1S/C17H21BrN2O/c1-20(2)11-12-21-17-9-7-16(8-10-17)19-13-14-3-5-15(18)6-4-14/h3-10,19H,11-13H2,1-2H3
InChIKeyUAFCKDCLOAIKTA-UHFFFAOYSA-N
XLogP4.00
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-[2-(dimethylamino)ethoxy]-N-[(4-fluorophenyl)methyl]aniline
CID 60942297
N-[[4-[(4-bromophenyl)methoxy]phenyl]methyl]-4-methoxyaniline
CID 126121541
methyl 2-[4-[(4-bromophenyl)methylamino]phenoxy]acetate
CID 43676782
4-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)aniline
CID 82539793
4-[2-(dimethylamino)ethoxy]-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 60944044
4-[2-(dimethylamino)ethoxy]-N-(furan-2-ylmethyl)aniline
CID 54863892
[5-[[4-[2-(dimethylamino)ethoxy]anilino]methyl]furan-2-yl]methanol
CID 64591781
N-[(4-butoxyphenyl)methyl]-4-hexoxyaniline
CID 54798833
4-heptoxy-N-[(4-heptoxyphenyl)methyl]aniline
CID 54799653
N-[(4-butoxyphenyl)methyl]-4-(2-ethoxyethoxy)aniline
CID 54801022
N-[[4-[(4-bromophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126117217
4-(2-methoxyethoxy)-N-[(4-methoxyphenyl)methyl]aniline
CID 43734131

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-4-[2-(dimethylamino)ethoxy]aniline?
The IUPAC name of N-[(4-bromophenyl)methyl]-4-[2-(dimethylamino)ethoxy]aniline (CID 60942295) is N-[(4-bromophenyl)methyl]-4-[2-(dimethylamino)ethoxy]aniline.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-4-[2-(dimethylamino)ethoxy]aniline?
The canonical SMILES for N-[(4-bromophenyl)methyl]-4-[2-(dimethylamino)ethoxy]aniline is CN(C)CCOc1ccc(NCc2ccc(Br)cc2)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-4-[2-(dimethylamino)ethoxy]aniline?
The InChIKey is UAFCKDCLOAIKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c1-20(2)11-12-21-17-9-7-16(8-10-17)19-13-14-3-5-15(18)6-4-14/h3-10,19H,11-13H2,1-2H3.
What are the key properties of N-[(4-bromophenyl)methyl]-4-[2-(dimethylamino)ethoxy]aniline?
N-[(4-bromophenyl)methyl]-4-[2-(dimethylamino)ethoxy]aniline has a molecular weight of 349.27 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-4-[2-(dimethylamino)ethoxy]aniline is sourced from PubChem (CID 60942295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).