N-[(3-chlorophenyl)methyl]-2,2-dimethoxyethanamine

C11H16ClNO2 — CID 60657354

IUPACN-[(3-chlorophenyl)methyl]-2,2-dimethoxyethanamine
SMILESCOC(CNCc1cccc(Cl)c1)OC
InChIInChI=1S/C11H16ClNO2/c1-14-11(15-2)8-13-7-9-4-3-5-10(12)6-9/h3-6,11,13H,7-8H2,1-2H3
InChIKeyRALNVYXUXLMWKC-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.05
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-2,2-dimethoxyethanamine

N-[(3-chlorophenyl)methyl]-2,2-dimethoxyethanamine (PubChem CID 60657354) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2,2-dimethoxyethanamine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2,2-dimethoxyethanamine
PubChem CID60657354
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC NameN-[(3-chlorophenyl)methyl]-2,2-dimethoxyethanamine
SMILESCOC(CNCc1cccc(Cl)c1)OC
InChIInChI=1S/C11H16ClNO2/c1-14-11(15-2)8-13-7-9-4-3-5-10(12)6-9/h3-6,11,13H,7-8H2,1-2H3
InChIKeyRALNVYXUXLMWKC-UHFFFAOYSA-N
XLogP2.05
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Benzylamino)acetaldehyde diethyl acetal
CID 521961
Benzylamine, 3,4-dichloro-N-(2-ethoxyethyl)-
CID 52318
N-(4-chlorobenzyl)-N-(3-ethoxypropyl)amine
CID 4550247
N-(2,4-dichlorobenzyl)-2-methoxyethanamine hydrochloride
CID 6460284
Benzenemethanamine, N-butyl-3-chloro-
CID 457585
N-Benzyl-2,2-dimethoxyethan-1-amine
CID 276572
Benzenemethanamine, 3-chloro-N-pentyl-
CID 457586
N-[[2,5-dichloro-4-[(2,2-dimethoxyethylamino)methyl]phenyl]methyl]-2,2-dimethoxyethanamine
CID 13085769
N-(3,4-Dichlorobenzyl)-2-methoxyethanamine
CID 594256
Benzyl-(2,2-dimethoxy-1-methyl-ethyl)-amine
CID 12293011
N-[(4-chlorophenyl)methyl]-1-(1,3-dioxolan-2-yl)-N-methylmethanamine
CID 122135630
2-(3-Chloro-benzylamino)-ethanol
CID 4711790

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2,2-dimethoxyethanamine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2,2-dimethoxyethanamine (CID 60657354) is N-[(3-chlorophenyl)methyl]-2,2-dimethoxyethanamine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2,2-dimethoxyethanamine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2,2-dimethoxyethanamine is COC(CNCc1cccc(Cl)c1)OC.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2,2-dimethoxyethanamine?
The InChIKey is RALNVYXUXLMWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2/c1-14-11(15-2)8-13-7-9-4-3-5-10(12)6-9/h3-6,11,13H,7-8H2,1-2H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-2,2-dimethoxyethanamine?
N-[(3-chlorophenyl)methyl]-2,2-dimethoxyethanamine has a molecular weight of 229.71 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2,2-dimethoxyethanamine is sourced from PubChem (CID 60657354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).