1-(5-chloro-2-methoxyphenyl)-N-(methoxymethyl)methanamine

C10H14ClNO2 — CID 115258490

IUPAC1-(5-chloro-2-methoxyphenyl)-N-(methoxymethyl)methanamine
SMILESCOCNCc1cc(Cl)ccc1OC
InChIInChI=1S/C10H14ClNO2/c1-13-7-12-6-8-5-9(11)3-4-10(8)14-2/h3-5,12H,6-7H2,1-2H3
InChIKeyQIVRBFNDFBEXNK-UHFFFAOYSA-N
MW215.68 g/mol
LogP2.04
Rot. Bonds5

About 1-(5-chloro-2-methoxyphenyl)-N-(methoxymethyl)methanamine

1-(5-chloro-2-methoxyphenyl)-N-(methoxymethyl)methanamine (PubChem CID 115258490) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-N-(methoxymethyl)methanamine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-N-(methoxymethyl)methanamine
PubChem CID115258490
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name1-(5-chloro-2-methoxyphenyl)-N-(methoxymethyl)methanamine
SMILESCOCNCc1cc(Cl)ccc1OC
InChIInChI=1S/C10H14ClNO2/c1-13-7-12-6-8-5-9(11)3-4-10(8)14-2/h3-5,12H,6-7H2,1-2H3
InChIKeyQIVRBFNDFBEXNK-UHFFFAOYSA-N
XLogP2.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(5-chloro-2-methoxyphenyl)methyl]-1-(4-chlorophenyl)methanamine
CID 43410760
2-[(5-chloro-2-methoxyphenyl)methylamino]acetaldehyde
CID 115222884
N-[(5-chloro-2-methoxyphenyl)methyl]-1-phenylmethanamine
CID 4723308
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)methanamine;hydrochloride
CID 17331816
N-[(5-chloro-2-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 17206959
N-[(5-chloro-2-methoxyphenyl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904397
N-[(5-chloro-2-methoxyphenyl)methyl]-2-phenylpropan-1-amine
CID 60695260
3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-methoxybutan-1-amine
CID 114162976
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547
N-[(5-chloro-2-methoxyphenyl)methyl]-2-methylsulfinylethanamine
CID 115632586
N-[(5-chloro-2-methoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 17331835
N-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxy-2-methylpropan-2-amine
CID 115608043

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-(methoxymethyl)methanamine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-(methoxymethyl)methanamine (CID 115258490) is 1-(5-chloro-2-methoxyphenyl)-N-(methoxymethyl)methanamine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-N-(methoxymethyl)methanamine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-N-(methoxymethyl)methanamine is COCNCc1cc(Cl)ccc1OC.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-N-(methoxymethyl)methanamine?
The InChIKey is QIVRBFNDFBEXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2/c1-13-7-12-6-8-5-9(11)3-4-10(8)14-2/h3-5,12H,6-7H2,1-2H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-N-(methoxymethyl)methanamine?
1-(5-chloro-2-methoxyphenyl)-N-(methoxymethyl)methanamine has a molecular weight of 215.68 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-N-(methoxymethyl)methanamine is sourced from PubChem (CID 115258490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).