1-(5-chloro-2-ethylphenyl)-N-methoxymethanamine

C10H14ClNO — CID 117288951

IUPAC1-(5-chloro-2-ethylphenyl)-N-methoxymethanamine
SMILESCCc1ccc(Cl)cc1CNOC
InChIInChI=1S/C10H14ClNO/c1-3-8-4-5-10(11)6-9(8)7-12-13-2/h4-6,12H,3,7H2,1-2H3
InChIKeyBHRMGZWIDFYCGM-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.55
Rot. Bonds4

About 1-(5-chloro-2-ethylphenyl)-N-methoxymethanamine

1-(5-chloro-2-ethylphenyl)-N-methoxymethanamine (PubChem CID 117288951) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 1-(5-chloro-2-ethylphenyl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(5-chloro-2-ethylphenyl)-N-methoxymethanamine
PubChem CID117288951
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name1-(5-chloro-2-ethylphenyl)-N-methoxymethanamine
SMILESCCc1ccc(Cl)cc1CNOC
InChIInChI=1S/C10H14ClNO/c1-3-8-4-5-10(11)6-9(8)7-12-13-2/h4-6,12H,3,7H2,1-2H3
InChIKeyBHRMGZWIDFYCGM-UHFFFAOYSA-N
XLogP2.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.55
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

1-(5-chloro-2-fluorophenyl)-N-methoxymethanamine
CID 114842560
4-chloro-1-ethyl-2-propylbenzene
CID 144500548
3-fluoro-6-[(methoxyamino)methyl]benzene-1,2-diol
CID 117280653
1-(2-chloro-4-nitrophenyl)-N-methoxymethanamine
CID 64973951
1-(3-chlorophenyl)-N-methoxymethanamine
CID 60702249
6-fluoro-2-methoxy-3-[(methoxyamino)methyl]phenol
CID 117289816
5-chloro-2-ethyl-N-(2-methoxyethyl)aniline
CID 70287582
4-chloro-1-ethyl-2-iodobenzene
CID 68984613
1-(4-chloro-2-nitrophenyl)-N-(2-methoxyethoxy)methanamine
CID 82721919
4-chloro-1-ethyl-2-(isocyanatomethyl)benzene
CID 117285863
2-[(methoxyamino)methyl]-N,N,5-trimethylaniline
CID 117107463
1-(6-ethyl-2,3-dimethoxyphenyl)-N-methoxymethanamine
CID 117323985

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-ethylphenyl)-N-methoxymethanamine?
The IUPAC name of 1-(5-chloro-2-ethylphenyl)-N-methoxymethanamine (CID 117288951) is 1-(5-chloro-2-ethylphenyl)-N-methoxymethanamine.
What is the SMILES notation for 1-(5-chloro-2-ethylphenyl)-N-methoxymethanamine?
The canonical SMILES for 1-(5-chloro-2-ethylphenyl)-N-methoxymethanamine is CCc1ccc(Cl)cc1CNOC.
What is the InChIKey of 1-(5-chloro-2-ethylphenyl)-N-methoxymethanamine?
The InChIKey is BHRMGZWIDFYCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-3-8-4-5-10(11)6-9(8)7-12-13-2/h4-6,12H,3,7H2,1-2H3.
What are the key properties of 1-(5-chloro-2-ethylphenyl)-N-methoxymethanamine?
1-(5-chloro-2-ethylphenyl)-N-methoxymethanamine has a molecular weight of 199.68 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-ethylphenyl)-N-methoxymethanamine is sourced from PubChem (CID 117288951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).