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

C15H15ClN2O3 — CID 60883684

IUPAC1-[4-[(3-chlorophenyl)methoxy]-3-nitrophenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCc2cccc(Cl)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H15ClN2O3/c1-17-9-11-5-6-15(14(8-11)18(19)20)21-10-12-3-2-4-13(16)7-12/h2-8,17H,9-10H2,1H3
InChIKeyBTYRTTYHWAEQJV-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.55
Rot. Bonds6

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

1-[4-[(3-chlorophenyl)methoxy]-3-nitrophenyl]-N-methylmethanamine (PubChem CID 60883684) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is 1-[4-[(3-chlorophenyl)methoxy]-3-nitrophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[(3-chlorophenyl)methoxy]-3-nitrophenyl]-N-methylmethanamine
PubChem CID60883684
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name1-[4-[(3-chlorophenyl)methoxy]-3-nitrophenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCc2cccc(Cl)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H15ClN2O3/c1-17-9-11-5-6-15(14(8-11)18(19)20)21-10-12-3-2-4-13(16)7-12/h2-8,17H,9-10H2,1H3
InChIKeyBTYRTTYHWAEQJV-UHFFFAOYSA-N
XLogP3.55
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1-[2-[(3-chlorophenyl)methoxy]-5-nitrophenyl]-N-methylmethanamine
CID 60889197
4-chloro-1-[(3-fluorophenyl)methoxy]-2-nitrobenzene
CID 52891645
N-[(3-nitro-4-phenylmethoxyphenyl)methyl]-1-phenylmethanamine
CID 69126091
N-methyl-1-[4-[(1-methylpyrazol-4-yl)methoxy]-3-nitrophenyl]methanamine
CID 60881810
4-(chloromethyl)-1-[(3-methylphenyl)methoxy]-2-nitrobenzene
CID 43137783
1-[4-(2-ethoxyethoxy)-3-nitrophenyl]-N-methylmethanamine
CID 43383665
1-[3-[(2-bromo-4-chlorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 62459792
N-methyl-1-[4-(2-methylbutoxy)-3-nitrophenyl]methanamine
CID 62105475
1-[4-(2-methoxypropoxy)-3-nitrophenyl]-N-methylmethanamine
CID 113382678
N,N-diethyl-2-[4-(methylaminomethyl)-2-nitrophenoxy]ethanamine
CID 43277714
2-[(3-chlorophenyl)methoxy]-6-nitrobenzoic acid
CID 107341341
[2-[(3-chlorophenyl)methoxy]-5-nitrophenyl]methanol
CID 43472956

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-chlorophenyl)methoxy]-3-nitrophenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-[(3-chlorophenyl)methoxy]-3-nitrophenyl]-N-methylmethanamine (CID 60883684) is 1-[4-[(3-chlorophenyl)methoxy]-3-nitrophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[(3-chlorophenyl)methoxy]-3-nitrophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[(3-chlorophenyl)methoxy]-3-nitrophenyl]-N-methylmethanamine is CNCc1ccc(OCc2cccc(Cl)c2)c([N+](=O)[O-])c1.
What is the InChIKey of 1-[4-[(3-chlorophenyl)methoxy]-3-nitrophenyl]-N-methylmethanamine?
The InChIKey is BTYRTTYHWAEQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-17-9-11-5-6-15(14(8-11)18(19)20)21-10-12-3-2-4-13(16)7-12/h2-8,17H,9-10H2,1H3.
What are the key properties of 1-[4-[(3-chlorophenyl)methoxy]-3-nitrophenyl]-N-methylmethanamine?
1-[4-[(3-chlorophenyl)methoxy]-3-nitrophenyl]-N-methylmethanamine has a molecular weight of 306.75 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-chlorophenyl)methoxy]-3-nitrophenyl]-N-methylmethanamine is sourced from PubChem (CID 60883684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).