5-chloro-N-cyclopropyl-2-[(2-methoxyethylamino)methyl]-N-methylaniline

C14H21ClN2O — CID 114847908

IUPAC5-chloro-N-cyclopropyl-2-[(2-methoxyethylamino)methyl]-N-methylaniline
SMILESCOCCNCc1ccc(Cl)cc1N(C)C1CC1
InChIInChI=1S/C14H21ClN2O/c1-17(13-5-6-13)14-9-12(15)4-3-11(14)10-16-7-8-18-2/h3-4,9,13,16H,5-8,10H2,1-2H3
InChIKeyFZUDKBPIBNHSIV-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.67
Rot. Bonds7

About 5-chloro-N-cyclopropyl-2-[(2-methoxyethylamino)methyl]-N-methylaniline

5-chloro-N-cyclopropyl-2-[(2-methoxyethylamino)methyl]-N-methylaniline (PubChem CID 114847908) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 5-chloro-N-cyclopropyl-2-[(2-methoxyethylamino)methyl]-N-methylaniline.

Molecular Properties

Compound Name5-chloro-N-cyclopropyl-2-[(2-methoxyethylamino)methyl]-N-methylaniline
PubChem CID114847908
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name5-chloro-N-cyclopropyl-2-[(2-methoxyethylamino)methyl]-N-methylaniline
SMILESCOCCNCc1ccc(Cl)cc1N(C)C1CC1
InChIInChI=1S/C14H21ClN2O/c1-17(13-5-6-13)14-9-12(15)4-3-11(14)10-16-7-8-18-2/h3-4,9,13,16H,5-8,10H2,1-2H3
InChIKeyFZUDKBPIBNHSIV-UHFFFAOYSA-N
XLogP2.67
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[5-chloro-2-[(2-methoxyethylamino)methyl]phenyl]-N-methylthiolan-3-amine
CID 114848119
5-chloro-N-cyclopentyl-N-methyl-2-(propylaminomethyl)aniline
CID 114847949
5-chloro-2-[(2-methoxyethylamino)methyl]-N-methyl-N-pentan-3-ylaniline
CID 114848415
1-[5-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]propan-2-ol
CID 114850641
5-chloro-2-(ethylaminomethyl)-N-(4-ethylcyclohexyl)-N-methylaniline
CID 114849309
5-chloro-2-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline
CID 114853324
5-chloro-2-[(2-methoxyethylamino)methyl]-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 114849967
5-chloro-2-[(2-methoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 114848617
5-chloro-2-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline
CID 114853300
5-chloro-N-methyl-N-(3-methylcyclohexyl)-2-(propylaminomethyl)aniline
CID 114849223
4-chloro-N-(2-methoxyethyl)-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylaniline
CID 114853037
5-chloro-N-(2-ethoxyethyl)-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline
CID 114851380

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclopropyl-2-[(2-methoxyethylamino)methyl]-N-methylaniline?
The IUPAC name of 5-chloro-N-cyclopropyl-2-[(2-methoxyethylamino)methyl]-N-methylaniline (CID 114847908) is 5-chloro-N-cyclopropyl-2-[(2-methoxyethylamino)methyl]-N-methylaniline.
What is the SMILES notation for 5-chloro-N-cyclopropyl-2-[(2-methoxyethylamino)methyl]-N-methylaniline?
The canonical SMILES for 5-chloro-N-cyclopropyl-2-[(2-methoxyethylamino)methyl]-N-methylaniline is COCCNCc1ccc(Cl)cc1N(C)C1CC1.
What is the InChIKey of 5-chloro-N-cyclopropyl-2-[(2-methoxyethylamino)methyl]-N-methylaniline?
The InChIKey is FZUDKBPIBNHSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-17(13-5-6-13)14-9-12(15)4-3-11(14)10-16-7-8-18-2/h3-4,9,13,16H,5-8,10H2,1-2H3.
What are the key properties of 5-chloro-N-cyclopropyl-2-[(2-methoxyethylamino)methyl]-N-methylaniline?
5-chloro-N-cyclopropyl-2-[(2-methoxyethylamino)methyl]-N-methylaniline has a molecular weight of 268.79 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclopropyl-2-[(2-methoxyethylamino)methyl]-N-methylaniline is sourced from PubChem (CID 114847908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).