1-(3-chlorophenyl)-N-methoxymethanamine

C8H10ClNO — CID 60702249

IUPAC1-(3-chlorophenyl)-N-methoxymethanamine
SMILESCONCc1cccc(Cl)c1
InChIInChI=1S/C8H10ClNO/c1-11-10-6-7-3-2-4-8(9)5-7/h2-5,10H,6H2,1H3
InChIKeyWGRZCUKESRWRQN-UHFFFAOYSA-N
MW171.63 g/mol
LogP1.99
Rot. Bonds3

About 1-(3-chlorophenyl)-N-methoxymethanamine

1-(3-chlorophenyl)-N-methoxymethanamine (PubChem CID 60702249) has the molecular formula C8H10ClNO and a molecular weight of 171.63 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-methoxymethanamine
PubChem CID60702249
Molecular FormulaC8H10ClNO
Molecular Weight171.63 g/mol
Exact Mass171.05
IUPAC Name1-(3-chlorophenyl)-N-methoxymethanamine
SMILESCONCc1cccc(Cl)c1
InChIInChI=1S/C8H10ClNO/c1-11-10-6-7-3-2-4-8(9)5-7/h2-5,10H,6H2,1H3
InChIKeyWGRZCUKESRWRQN-UHFFFAOYSA-N
XLogP1.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 51.99
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

N-[(3-chlorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 115656052
1-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 28664098
N-[(3-chlorophenyl)methyl]-2-methoxyacetamide
CID 60636717
N-[(3-chlorophenyl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 65050293
1-[3-[(methoxyamino)methyl]phenyl]propan-2-ol
CID 117107385
N-[(3-chlorophenyl)methyl]-2-undecoxyethanamine
CID 22091512
N-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]propan-1-amine
CID 65125794
1-(3-chlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 60744302
N-[(3-chlorophenyl)methyl]-4-ethoxybutan-1-amine
CID 115584497
N-[(3-chlorophenyl)methyl]methanethioamide
CID 58279687
N-[(3-chlorophenyl)methyl]propane-1-sulfonamide
CID 47105679
N-[(3-chlorophenyl)methyl]-3-ethoxypropan-1-amine;hydrochloride
CID 17293862

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-methoxymethanamine?
The IUPAC name of 1-(3-chlorophenyl)-N-methoxymethanamine (CID 60702249) is 1-(3-chlorophenyl)-N-methoxymethanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-methoxymethanamine?
The canonical SMILES for 1-(3-chlorophenyl)-N-methoxymethanamine is CONCc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-methoxymethanamine?
The InChIKey is WGRZCUKESRWRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO/c1-11-10-6-7-3-2-4-8(9)5-7/h2-5,10H,6H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-N-methoxymethanamine?
1-(3-chlorophenyl)-N-methoxymethanamine has a molecular weight of 171.63 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-methoxymethanamine is sourced from PubChem (CID 60702249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).