N-[(2-bromophenyl)methoxy]-3-chloroaniline

C13H11BrClNO — CID 175709574

IUPACN-[(2-bromophenyl)methoxy]-3-chloroaniline
SMILESClc1cccc(NOCc2ccccc2Br)c1
InChIInChI=1S/C13H11BrClNO/c14-13-7-2-1-4-10(13)9-17-16-12-6-3-5-11(15)8-12/h1-8,16H,9H2
InChIKeyFZVXAOMFIGSEAQ-UHFFFAOYSA-N
MW312.59 g/mol
LogP4.65
Rot. Bonds4

About N-[(2-bromophenyl)methoxy]-3-chloroaniline

N-[(2-bromophenyl)methoxy]-3-chloroaniline (PubChem CID 175709574) has the molecular formula C13H11BrClNO and a molecular weight of 312.59 g/mol. Its IUPAC name is N-[(2-bromophenyl)methoxy]-3-chloroaniline.

Molecular Properties

Compound NameN-[(2-bromophenyl)methoxy]-3-chloroaniline
PubChem CID175709574
Molecular FormulaC13H11BrClNO
Molecular Weight312.59 g/mol
Exact Mass310.97
IUPAC NameN-[(2-bromophenyl)methoxy]-3-chloroaniline
SMILESClc1cccc(NOCc2ccccc2Br)c1
InChIInChI=1S/C13H11BrClNO/c14-13-7-2-1-4-10(13)9-17-16-12-6-3-5-11(15)8-12/h1-8,16H,9H2
InChIKeyFZVXAOMFIGSEAQ-UHFFFAOYSA-N
XLogP4.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.59
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[(6-methyl-2-pyridinyl)methoxy]aniline
CID 91419838
1-[(2-bromophenyl)methoxy]-4-chloro-2-fluorobenzene
CID 146004192
2-[(2-bromophenyl)methylamino]-N-(3-chlorophenyl)acetamide
CID 61401955
3-chloro-N-[(3,5-dibromo-4-phenylmethoxyphenyl)methyl]aniline
CID 3974934
3-(3-chloroanilino)oxypropanoic acid
CID 142626478
2-[(2-bromophenyl)methoxy]-2-(3-chlorophenyl)-N-ethylethanamine
CID 82806133
1-(2-bromophenyl)-3-(3-chlorophenoxy)-N-ethylpropan-2-amine
CID 105087367
1-bromo-2-[[3-(chloromethyl)phenoxy]methyl]benzene
CID 28543153
2-[(2-bromophenyl)methoxy]-4,6-dichloro-1,3,5-triazine
CID 82823763
(Z)-3-[(2-bromophenyl)methylamino]-N-(3-chlorophenyl)-2-cyanoprop-2-enamide
CID 108860604
N,N'-bis(3-chlorophenyl)ethane-1,2-diamine
CID 14274750
1-[3,5-dibromo-4-[(2-bromophenyl)methoxy]phenyl]-N-methylmethanamine
CID 107741910

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methoxy]-3-chloroaniline?
The IUPAC name of N-[(2-bromophenyl)methoxy]-3-chloroaniline (CID 175709574) is N-[(2-bromophenyl)methoxy]-3-chloroaniline.
What is the SMILES notation for N-[(2-bromophenyl)methoxy]-3-chloroaniline?
The canonical SMILES for N-[(2-bromophenyl)methoxy]-3-chloroaniline is Clc1cccc(NOCc2ccccc2Br)c1.
What is the InChIKey of N-[(2-bromophenyl)methoxy]-3-chloroaniline?
The InChIKey is FZVXAOMFIGSEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClNO/c14-13-7-2-1-4-10(13)9-17-16-12-6-3-5-11(15)8-12/h1-8,16H,9H2.
What are the key properties of N-[(2-bromophenyl)methoxy]-3-chloroaniline?
N-[(2-bromophenyl)methoxy]-3-chloroaniline has a molecular weight of 312.59 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methoxy]-3-chloroaniline is sourced from PubChem (CID 175709574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).