N-(3-chloro-2-methoxypropyl)-N-methylformamide

C6H12ClNO2 — CID 155403248

IUPACN-(3-chloro-2-methoxypropyl)-N-methylformamide
SMILESCOC(CCl)CN(C)C=O
InChIInChI=1S/C6H12ClNO2/c1-8(5-9)4-6(3-7)10-2/h5-6H,3-4H2,1-2H3
InChIKeyAUKHHUSJAZEGSU-UHFFFAOYSA-N
MW165.62 g/mol
LogP0.33
Rot. Bonds5

About N-(3-chloro-2-methoxypropyl)-N-methylformamide

N-(3-chloro-2-methoxypropyl)-N-methylformamide (PubChem CID 155403248) has the molecular formula C6H12ClNO2 and a molecular weight of 165.62 g/mol. Its IUPAC name is N-(3-chloro-2-methoxypropyl)-N-methylformamide.

Molecular Properties

Compound NameN-(3-chloro-2-methoxypropyl)-N-methylformamide
PubChem CID155403248
Molecular FormulaC6H12ClNO2
Molecular Weight165.62 g/mol
Exact Mass165.06
IUPAC NameN-(3-chloro-2-methoxypropyl)-N-methylformamide
SMILESCOC(CCl)CN(C)C=O
InChIInChI=1S/C6H12ClNO2/c1-8(5-9)4-6(3-7)10-2/h5-6H,3-4H2,1-2H3
InChIKeyAUKHHUSJAZEGSU-UHFFFAOYSA-N
XLogP0.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.62
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[formyl(methyl)amino]-2-methylpropanoate
CID 64992660
1-chloro-2-methoxybutane
CID 20783140
N-(2,3-dimethylbutyl)-N-methylformamide
CID 54514988
3-chloro-2-methoxypropan-1-ol;ethane
CID 153379962
dimethyl 2-[[formyl(methyl)amino]methyl]butanedioate
CID 25128449
N-methyl-N-(propan-2-yloxymethyl)formamide
CID 119098293
(1S,3R)-4-chloro-1,3-dimethoxybutan-1-ol
CID 97050424
ethyl 2-[[formyl(methyl)amino]methyl]pentanoate
CID 59611373
N-methyl-N-(4-methylpentyl)formamide
CID 54179007
N-(2-tert-butyl-3,3-dimethylpentyl)-N-methylformamide
CID 167286706
N-(hydroperoxymethyl)-N-methylformamide
CID 102152453
N-(aminomethyl)-N-methylformamide
CID 57084326

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methoxypropyl)-N-methylformamide?
The IUPAC name of N-(3-chloro-2-methoxypropyl)-N-methylformamide (CID 155403248) is N-(3-chloro-2-methoxypropyl)-N-methylformamide.
What is the SMILES notation for N-(3-chloro-2-methoxypropyl)-N-methylformamide?
The canonical SMILES for N-(3-chloro-2-methoxypropyl)-N-methylformamide is COC(CCl)CN(C)C=O.
What is the InChIKey of N-(3-chloro-2-methoxypropyl)-N-methylformamide?
The InChIKey is AUKHHUSJAZEGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO2/c1-8(5-9)4-6(3-7)10-2/h5-6H,3-4H2,1-2H3.
What are the key properties of N-(3-chloro-2-methoxypropyl)-N-methylformamide?
N-(3-chloro-2-methoxypropyl)-N-methylformamide has a molecular weight of 165.62 g/mol, XLogP of 0.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methoxypropyl)-N-methylformamide is sourced from PubChem (CID 155403248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).