N-[(4-bromo-3-nitrophenyl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine

C15H14BrClN2O2 — CID 115557639

IUPACN-[(4-bromo-3-nitrophenyl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine
SMILESCN(Cc1cccc(Cl)c1)Cc1ccc(Br)c([N+](=O)[O-])c1
InChIInChI=1S/C15H14BrClN2O2/c1-18(9-11-3-2-4-13(17)7-11)10-12-5-6-14(16)15(8-12)19(20)21/h2-8H,9-10H2,1H3
InChIKeyRVTSLDNZCUHRPX-UHFFFAOYSA-N
MW369.65 g/mol
LogP4.64
Rot. Bonds5

About N-[(4-bromo-3-nitrophenyl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine

N-[(4-bromo-3-nitrophenyl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine (PubChem CID 115557639) has the molecular formula C15H14BrClN2O2 and a molecular weight of 369.65 g/mol. Its IUPAC name is N-[(4-bromo-3-nitrophenyl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[(4-bromo-3-nitrophenyl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine
PubChem CID115557639
Molecular FormulaC15H14BrClN2O2
Molecular Weight369.65 g/mol
Exact Mass367.99
IUPAC NameN-[(4-bromo-3-nitrophenyl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine
SMILESCN(Cc1cccc(Cl)c1)Cc1ccc(Br)c([N+](=O)[O-])c1
InChIInChI=1S/C15H14BrClN2O2/c1-18(9-11-3-2-4-13(17)7-11)10-12-5-6-14(16)15(8-12)19(20)21/h2-8H,9-10H2,1H3
InChIKeyRVTSLDNZCUHRPX-UHFFFAOYSA-N
XLogP4.64
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.65
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-bromo-3-nitrophenyl)methyl]-2,2,2-trifluoro-N-methylethanamine
CID 115557627
N-[(4-bromo-3-nitrophenyl)methyl]-2,2-difluoro-N-methylethanamine
CID 115882440
N'-[(4-bromo-3-nitrophenyl)methyl]-N,N'-dimethylpropane-1,3-diamine
CID 115558582
4-bromo-N-[(3-chlorophenyl)methyl]-3-nitroaniline
CID 79768308
1-(4-bromo-3-nitrophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 113335287
1-(4-bromo-3-nitrophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine
CID 75470766
N-[(3-bromothiophen-2-yl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine
CID 63456654
2-[2-[(4-bromo-3-nitrophenyl)methyl-methylamino]ethoxy]ethanol
CID 114243049
1-N-[(3-chlorophenyl)methyl]-1-N-methyl-4-nitrobenzene-1,3-diamine
CID 106751500
1-bromo-4-chloro-2-nitrobenzene
CID 2794904
N-(4-chloro-2-nitrophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 9251343
N-[(4-bromo-3-nitrophenyl)methyl]-3-methoxy-N-methylaniline
CID 115557735

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-nitrophenyl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine?
The IUPAC name of N-[(4-bromo-3-nitrophenyl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine (CID 115557639) is N-[(4-bromo-3-nitrophenyl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine.
What is the SMILES notation for N-[(4-bromo-3-nitrophenyl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine?
The canonical SMILES for N-[(4-bromo-3-nitrophenyl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine is CN(Cc1cccc(Cl)c1)Cc1ccc(Br)c([N+](=O)[O-])c1.
What is the InChIKey of N-[(4-bromo-3-nitrophenyl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine?
The InChIKey is RVTSLDNZCUHRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O2/c1-18(9-11-3-2-4-13(17)7-11)10-12-5-6-14(16)15(8-12)19(20)21/h2-8H,9-10H2,1H3.
What are the key properties of N-[(4-bromo-3-nitrophenyl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine?
N-[(4-bromo-3-nitrophenyl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine has a molecular weight of 369.65 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-nitrophenyl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine is sourced from PubChem (CID 115557639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).