1-[5-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]propan-2-ol

C14H23ClN2O2 — CID 114850641

IUPAC1-[5-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]propan-2-ol
SMILESCOCCNCc1ccc(Cl)cc1N(C)CC(C)O
InChIInChI=1S/C14H23ClN2O2/c1-11(18)10-17(2)14-8-13(15)5-4-12(14)9-16-6-7-19-3/h4-5,8,11,16,18H,6-7,9-10H2,1-3H3
InChIKeyXGJGJIVVQFDWTP-UHFFFAOYSA-N
MW286.80 g/mol
LogP1.89
Rot. Bonds8

About 1-[5-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]propan-2-ol

1-[5-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]propan-2-ol (PubChem CID 114850641) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is 1-[5-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]propan-2-ol.

Molecular Properties

Compound Name1-[5-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]propan-2-ol
PubChem CID114850641
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC Name1-[5-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]propan-2-ol
SMILESCOCCNCc1ccc(Cl)cc1N(C)CC(C)O
InChIInChI=1S/C14H23ClN2O2/c1-11(18)10-17(2)14-8-13(15)5-4-12(14)9-16-6-7-19-3/h4-5,8,11,16,18H,6-7,9-10H2,1-3H3
InChIKeyXGJGJIVVQFDWTP-UHFFFAOYSA-N
XLogP1.89
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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-N-cyclopropyl-2-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 114847908
5-chloro-2-[(2-methoxyethylamino)methyl]-N-methyl-N-pentan-3-ylaniline
CID 114848415
5-chloro-2-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline
CID 114853324
1-[4-fluoro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]propan-2-ol
CID 55147418
5-chloro-2-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline
CID 114853300
4-chloro-N-(2-methoxyethyl)-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylaniline
CID 114853037
5-chloro-2-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 114853034
2-[4-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]acetamide
CID 114848156
2-[N-butyl-5-chloro-2-[(2-methoxyethylamino)methyl]anilino]ethanol
CID 114849250
N-[5-chloro-2-[(2-methoxyethylamino)methyl]phenyl]-N-methylthiolan-3-amine
CID 114848119

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]propan-2-ol?
The IUPAC name of 1-[5-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]propan-2-ol (CID 114850641) is 1-[5-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]propan-2-ol.
What is the SMILES notation for 1-[5-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]propan-2-ol?
The canonical SMILES for 1-[5-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]propan-2-ol is COCCNCc1ccc(Cl)cc1N(C)CC(C)O.
What is the InChIKey of 1-[5-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]propan-2-ol?
The InChIKey is XGJGJIVVQFDWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O2/c1-11(18)10-17(2)14-8-13(15)5-4-12(14)9-16-6-7-19-3/h4-5,8,11,16,18H,6-7,9-10H2,1-3H3.
What are the key properties of 1-[5-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]propan-2-ol?
1-[5-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]propan-2-ol has a molecular weight of 286.80 g/mol, XLogP of 1.89, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]propan-2-ol is sourced from PubChem (CID 114850641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).