1-(5-chloro-2-methoxy-3-methylphenyl)-N-methylmethanamine

C10H14ClNO — CID 66679686

IUPAC1-(5-chloro-2-methoxy-3-methylphenyl)-N-methylmethanamine
SMILESCNCc1cc(Cl)cc(C)c1OC
InChIInChI=1S/C10H14ClNO/c1-7-4-9(11)5-8(6-12-2)10(7)13-3/h4-5,12H,6H2,1-3H3
InChIKeyAAMUBZYKZMFIAI-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.38
Rot. Bonds3

About 1-(5-chloro-2-methoxy-3-methylphenyl)-N-methylmethanamine

1-(5-chloro-2-methoxy-3-methylphenyl)-N-methylmethanamine (PubChem CID 66679686) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxy-3-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxy-3-methylphenyl)-N-methylmethanamine
PubChem CID66679686
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name1-(5-chloro-2-methoxy-3-methylphenyl)-N-methylmethanamine
SMILESCNCc1cc(Cl)cc(C)c1OC
InChIInChI=1S/C10H14ClNO/c1-7-4-9(11)5-8(6-12-2)10(7)13-3/h4-5,12H,6H2,1-3H3
InChIKeyAAMUBZYKZMFIAI-UHFFFAOYSA-N
XLogP2.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(5-chloro-2-methoxy-3-methylphenyl)methylamino]propanenitrile
CID 115230880
N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]propanamide
CID 110782924
N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]butanamide
CID 110782925
1-[(5-chloro-2-methoxy-3-methylphenyl)methylamino]propan-2-one
CID 115234732
N'-[(5-chloro-2-methoxy-3-methylphenyl)methyl]butane-1,4-diamine
CID 115201216
N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-3-hydroxypropanamide
CID 115139037
O-[(5-chloro-2-methoxy-3-methylphenyl)methyl]hydroxylamine
CID 83700383
1-(3-chloro-4-methoxy-5-methylphenyl)-N-methylmethanamine
CID 83831691
3-(5-chloro-2-methoxy-3-methylphenyl)propanenitrile
CID 82470720
4-chloro-2-methyl-6-(methylaminomethyl)phenol
CID 115978288
1-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-1,3-dimethylurea
CID 115169247
3-[2-(5-chloro-2-methoxy-3-methylphenyl)ethylamino]propanenitrile
CID 115231106

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxy-3-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(5-chloro-2-methoxy-3-methylphenyl)-N-methylmethanamine (CID 66679686) is 1-(5-chloro-2-methoxy-3-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-chloro-2-methoxy-3-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-chloro-2-methoxy-3-methylphenyl)-N-methylmethanamine is CNCc1cc(Cl)cc(C)c1OC.
What is the InChIKey of 1-(5-chloro-2-methoxy-3-methylphenyl)-N-methylmethanamine?
The InChIKey is AAMUBZYKZMFIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-7-4-9(11)5-8(6-12-2)10(7)13-3/h4-5,12H,6H2,1-3H3.
What are the key properties of 1-(5-chloro-2-methoxy-3-methylphenyl)-N-methylmethanamine?
1-(5-chloro-2-methoxy-3-methylphenyl)-N-methylmethanamine has a molecular weight of 199.68 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxy-3-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 66679686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).