1-[5-chloro-2-(ethoxymethoxy)-3-methoxyphenyl]-N-methylmethanamine

C12H18ClNO3 — CID 104664444

IUPAC1-[5-chloro-2-(ethoxymethoxy)-3-methoxyphenyl]-N-methylmethanamine
SMILESCCOCOc1c(CNC)cc(Cl)cc1OC
InChIInChI=1S/C12H18ClNO3/c1-4-16-8-17-12-9(7-14-2)5-10(13)6-11(12)15-3/h5-6,14H,4,7-8H2,1-3H3
InChIKeyLIUFZCUIXNMFQC-UHFFFAOYSA-N
MW259.73 g/mol
LogP2.44
Rot. Bonds7

About 1-[5-chloro-2-(ethoxymethoxy)-3-methoxyphenyl]-N-methylmethanamine

1-[5-chloro-2-(ethoxymethoxy)-3-methoxyphenyl]-N-methylmethanamine (PubChem CID 104664444) has the molecular formula C12H18ClNO3 and a molecular weight of 259.73 g/mol. Its IUPAC name is 1-[5-chloro-2-(ethoxymethoxy)-3-methoxyphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-(ethoxymethoxy)-3-methoxyphenyl]-N-methylmethanamine
PubChem CID104664444
Molecular FormulaC12H18ClNO3
Molecular Weight259.73 g/mol
Exact Mass259.10
IUPAC Name1-[5-chloro-2-(ethoxymethoxy)-3-methoxyphenyl]-N-methylmethanamine
SMILESCCOCOc1c(CNC)cc(Cl)cc1OC
InChIInChI=1S/C12H18ClNO3/c1-4-16-8-17-12-9(7-14-2)5-10(13)6-11(12)15-3/h5-6,14H,4,7-8H2,1-3H3
InChIKeyLIUFZCUIXNMFQC-UHFFFAOYSA-N
XLogP2.44
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.73
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1-[3,5-dichloro-2-(ethoxymethoxy)phenyl]-N-methylmethanamine
CID 65369787
1-[5-chloro-3-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]-N-methylmethanamine
CID 106450713
1-(2-butan-2-yloxy-5-chloro-3-methoxyphenyl)-N-methylmethanamine
CID 104664508
methyl 3-[4-chloro-2-methoxy-6-(methylaminomethyl)phenoxy]propanoate
CID 104664543
N-[(5-chloro-2-ethoxy-3-methoxyphenyl)methyl]adamantan-1-amine
CID 17156949
N-[[5-chloro-2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]propan-2-amine
CID 104664891
N-[[5-chloro-2-(cyclopropylmethoxymethoxy)-3-methoxyphenyl]methyl]ethanamine
CID 106929446
4-[4-chloro-2-methoxy-6-(methylaminomethyl)phenoxy]-N,N-dimethylbutanamide
CID 104664419
4-[4-chloro-2-methoxy-6-(methylaminomethyl)phenoxy]-N-methylbutanamide
CID 104664360
1-[2-[(3-bromothiophen-2-yl)methoxy]-5-chloro-3-methoxyphenyl]-N-methylmethanamine
CID 104664426
N-[(5-chloro-2-ethoxy-3-methoxyphenyl)methyl]propan-2-amine;hydrochloride
CID 17156731
1-[5-chloro-2-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]-N-methylmethanamine
CID 104664487

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(ethoxymethoxy)-3-methoxyphenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-chloro-2-(ethoxymethoxy)-3-methoxyphenyl]-N-methylmethanamine (CID 104664444) is 1-[5-chloro-2-(ethoxymethoxy)-3-methoxyphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-chloro-2-(ethoxymethoxy)-3-methoxyphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-chloro-2-(ethoxymethoxy)-3-methoxyphenyl]-N-methylmethanamine is CCOCOc1c(CNC)cc(Cl)cc1OC.
What is the InChIKey of 1-[5-chloro-2-(ethoxymethoxy)-3-methoxyphenyl]-N-methylmethanamine?
The InChIKey is LIUFZCUIXNMFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO3/c1-4-16-8-17-12-9(7-14-2)5-10(13)6-11(12)15-3/h5-6,14H,4,7-8H2,1-3H3.
What are the key properties of 1-[5-chloro-2-(ethoxymethoxy)-3-methoxyphenyl]-N-methylmethanamine?
1-[5-chloro-2-(ethoxymethoxy)-3-methoxyphenyl]-N-methylmethanamine has a molecular weight of 259.73 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(ethoxymethoxy)-3-methoxyphenyl]-N-methylmethanamine is sourced from PubChem (CID 104664444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).