1-[2-[(4-chlorophenyl)methoxy]-5-nitrophenyl]-N-methylmethanamine

C15H15ClN2O3 — CID 60888633

IUPAC1-[2-[(4-chlorophenyl)methoxy]-5-nitrophenyl]-N-methylmethanamine
SMILESCNCc1cc([N+](=O)[O-])ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2O3/c1-17-9-12-8-14(18(19)20)6-7-15(12)21-10-11-2-4-13(16)5-3-11/h2-8,17H,9-10H2,1H3
InChIKeyAMDAKLLCRFCBLU-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.55
Rot. Bonds6

About 1-[2-[(4-chlorophenyl)methoxy]-5-nitrophenyl]-N-methylmethanamine

1-[2-[(4-chlorophenyl)methoxy]-5-nitrophenyl]-N-methylmethanamine (PubChem CID 60888633) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is 1-[2-[(4-chlorophenyl)methoxy]-5-nitrophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(4-chlorophenyl)methoxy]-5-nitrophenyl]-N-methylmethanamine
PubChem CID60888633
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name1-[2-[(4-chlorophenyl)methoxy]-5-nitrophenyl]-N-methylmethanamine
SMILESCNCc1cc([N+](=O)[O-])ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2O3/c1-17-9-12-8-14(18(19)20)6-7-15(12)21-10-11-2-4-13(16)5-3-11/h2-8,17H,9-10H2,1H3
InChIKeyAMDAKLLCRFCBLU-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
2-chloro-1-[(4-chlorophenyl)methoxy]-4-nitrobenzene
CID 66921922
2-[(4-chlorophenyl)methoxy]-5-nitroaniline
CID 65127132
N-methyl-1-[5-nitro-2-(pyridin-3-ylmethoxy)phenyl]methanamine
CID 43472667
methyl 2-[(4-chlorophenyl)methoxy]-5-nitrobenzoate
CID 91681746
2-[(4-chlorophenyl)methoxy]-4-nitroaniline
CID 15181471
4-[[2-(bromomethyl)-4-nitrophenoxy]methyl]-2-chloro-1-fluorobenzene
CID 103038468
N-[[5-chloro-2-[(4-nitrophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126125870
1-bromo-2-[(4-chlorophenyl)methoxy]-4-nitrobenzene
CID 25235957
1-(5-chloro-2-phenylmethoxyphenyl)-N-methylmethanamine
CID 961380
N-methyl-1-[5-nitro-2-(2-phenylethoxy)phenyl]methanamine
CID 43472675
N-methyl-1-[5-nitro-2-(1,2-oxazol-5-ylmethoxy)phenyl]methanamine
CID 60889775

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-chlorophenyl)methoxy]-5-nitrophenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(4-chlorophenyl)methoxy]-5-nitrophenyl]-N-methylmethanamine (CID 60888633) is 1-[2-[(4-chlorophenyl)methoxy]-5-nitrophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(4-chlorophenyl)methoxy]-5-nitrophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(4-chlorophenyl)methoxy]-5-nitrophenyl]-N-methylmethanamine is CNCc1cc([N+](=O)[O-])ccc1OCc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-[(4-chlorophenyl)methoxy]-5-nitrophenyl]-N-methylmethanamine?
The InChIKey is AMDAKLLCRFCBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-17-9-12-8-14(18(19)20)6-7-15(12)21-10-11-2-4-13(16)5-3-11/h2-8,17H,9-10H2,1H3.
What are the key properties of 1-[2-[(4-chlorophenyl)methoxy]-5-nitrophenyl]-N-methylmethanamine?
1-[2-[(4-chlorophenyl)methoxy]-5-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-[2-[(4-chlorophenyl)methoxy]-5-nitrophenyl]-N-methylmethanamine is sourced from PubChem (CID 60888633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).