1-(4-chloro-2,5-dimethoxyphenyl)-N-methoxymethanamine

C10H14ClNO3 — CID 117335514

IUPAC1-(4-chloro-2,5-dimethoxyphenyl)-N-methoxymethanamine
SMILESCONCc1cc(OC)c(Cl)cc1OC
InChIInChI=1S/C10H14ClNO3/c1-13-9-5-8(11)10(14-2)4-7(9)6-12-15-3/h4-5,12H,6H2,1-3H3
InChIKeyRBITVWNICHDYIC-UHFFFAOYSA-N
MW231.68 g/mol
LogP2.01
Rot. Bonds5

About 1-(4-chloro-2,5-dimethoxyphenyl)-N-methoxymethanamine

1-(4-chloro-2,5-dimethoxyphenyl)-N-methoxymethanamine (PubChem CID 117335514) has the molecular formula C10H14ClNO3 and a molecular weight of 231.68 g/mol. Its IUPAC name is 1-(4-chloro-2,5-dimethoxyphenyl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(4-chloro-2,5-dimethoxyphenyl)-N-methoxymethanamine
PubChem CID117335514
Molecular FormulaC10H14ClNO3
Molecular Weight231.68 g/mol
Exact Mass231.07
IUPAC Name1-(4-chloro-2,5-dimethoxyphenyl)-N-methoxymethanamine
SMILESCONCc1cc(OC)c(Cl)cc1OC
InChIInChI=1S/C10H14ClNO3/c1-13-9-5-8(11)10(14-2)4-7(9)6-12-15-3/h4-5,12H,6H2,1-3H3
InChIKeyRBITVWNICHDYIC-UHFFFAOYSA-N
XLogP2.01
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]-N-methoxymethanamine
CID 117330350
1-chloro-4-ethyl-2,5-dimethoxybenzene
CID 71132798
CID 88950552
CID 88950552
1-[5-(fluoromethyl)-2,4-dimethoxyphenyl]-N-methoxymethanamine
CID 117330353
1-[4-(1-fluoroethyl)-2,5-dimethoxyphenyl]-N-methoxymethanamine
CID 117359818
1-chloro-5-(chloromethyl)-2,4-dimethoxybenzene
CID 82645011
1-(2-chloro-5-fluoro-3-methoxyphenyl)-N-methoxymethanamine
CID 117313548
1-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)-N-methoxymethanamine
CID 117420098
1-(3,5-dichloro-2-methoxyphenyl)-N-methoxymethanamine
CID 117344115
N-methoxy-1-(2-methoxy-5-nitrophenyl)methanamine
CID 60702867
1-(5-bromo-2-methoxy-4-propan-2-ylphenyl)-N-methoxymethanamine
CID 117465379
1-(5-tert-butyl-2-methoxyphenyl)-N-methoxymethanamine
CID 117320541

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,5-dimethoxyphenyl)-N-methoxymethanamine?
The IUPAC name of 1-(4-chloro-2,5-dimethoxyphenyl)-N-methoxymethanamine (CID 117335514) is 1-(4-chloro-2,5-dimethoxyphenyl)-N-methoxymethanamine.
What is the SMILES notation for 1-(4-chloro-2,5-dimethoxyphenyl)-N-methoxymethanamine?
The canonical SMILES for 1-(4-chloro-2,5-dimethoxyphenyl)-N-methoxymethanamine is CONCc1cc(OC)c(Cl)cc1OC.
What is the InChIKey of 1-(4-chloro-2,5-dimethoxyphenyl)-N-methoxymethanamine?
The InChIKey is RBITVWNICHDYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO3/c1-13-9-5-8(11)10(14-2)4-7(9)6-12-15-3/h4-5,12H,6H2,1-3H3.
What are the key properties of 1-(4-chloro-2,5-dimethoxyphenyl)-N-methoxymethanamine?
1-(4-chloro-2,5-dimethoxyphenyl)-N-methoxymethanamine has a molecular weight of 231.68 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,5-dimethoxyphenyl)-N-methoxymethanamine is sourced from PubChem (CID 117335514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).