1-(3-chloro-2-ethoxyphenyl)-N-methylmethanimine

C10H12ClNO — CID 58692463

IUPAC1-(3-chloro-2-ethoxyphenyl)-N-methylmethanimine
SMILESCCOc1c(Cl)cccc1/C=N/C
InChIInChI=1S/C10H12ClNO/c1-3-13-10-8(7-12-2)5-4-6-9(10)11/h4-7H,3H2,1-2H3/b12-7+
InChIKeySFCICMNNUTWPOQ-KPKJPENVSA-N
MW197.66 g/mol
LogP2.79
Rot. Bonds3

About 1-(3-chloro-2-ethoxyphenyl)-N-methylmethanimine

1-(3-chloro-2-ethoxyphenyl)-N-methylmethanimine (PubChem CID 58692463) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is 1-(3-chloro-2-ethoxyphenyl)-N-methylmethanimine.

Molecular Properties

Compound Name1-(3-chloro-2-ethoxyphenyl)-N-methylmethanimine
PubChem CID58692463
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC Name1-(3-chloro-2-ethoxyphenyl)-N-methylmethanimine
SMILESCCOc1c(Cl)cccc1/C=N/C
InChIInChI=1S/C10H12ClNO/c1-3-13-10-8(7-12-2)5-4-6-9(10)11/h4-7H,3H2,1-2H3/b12-7+
InChIKeySFCICMNNUTWPOQ-KPKJPENVSA-N
XLogP2.79
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-chloro-2-ethoxy-3-propylbenzene
CID 143260119
3-chloro-2-(3-ethoxypropoxy)benzaldehyde
CID 112611490
1,8-dichloro-9,10-diethoxyanthracene
CID 139930191
(3-chloro-2-ethoxyphenyl)hydrazine
CID 130779145
2-ethoxybenzene-1,3-dicarbaldehyde
CID 15757941
(NE)-N-[(2-ethoxy-3-methoxyphenyl)methylidene]hydroxylamine
CID 23722991
1-(3-chloro-2-ethoxyphenyl)ethanamine;hydrochloride
CID 163284852
2-(3-chloro-2-ethoxyphenyl)acetic acid
CID 75525846
1-(3-chloro-2-ethoxyphenyl)-N-methylmethanamine
CID 58664109
N-[1-(2,3-dichlorophenyl)ethyl]-1-(2-ethoxyphenyl)methanimine
CID 22483121
3-chloro-2-(2-ethylbutoxy)benzaldehyde
CID 112611417
1,3-dichloro-2-(2,2-diethoxyethoxy)benzene
CID 2781949

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-ethoxyphenyl)-N-methylmethanimine?
The IUPAC name of 1-(3-chloro-2-ethoxyphenyl)-N-methylmethanimine (CID 58692463) is 1-(3-chloro-2-ethoxyphenyl)-N-methylmethanimine.
What is the SMILES notation for 1-(3-chloro-2-ethoxyphenyl)-N-methylmethanimine?
The canonical SMILES for 1-(3-chloro-2-ethoxyphenyl)-N-methylmethanimine is CCOc1c(Cl)cccc1/C=N/C.
What is the InChIKey of 1-(3-chloro-2-ethoxyphenyl)-N-methylmethanimine?
The InChIKey is SFCICMNNUTWPOQ-KPKJPENVSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-3-13-10-8(7-12-2)5-4-6-9(10)11/h4-7H,3H2,1-2H3/b12-7+.
What are the key properties of 1-(3-chloro-2-ethoxyphenyl)-N-methylmethanimine?
1-(3-chloro-2-ethoxyphenyl)-N-methylmethanimine has a molecular weight of 197.66 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-ethoxyphenyl)-N-methylmethanimine is sourced from PubChem (CID 58692463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).