2-[N-butyl-5-chloro-2-[(2-methoxyethylamino)methyl]anilino]ethanol

C16H27ClN2O2 — CID 114849250

IUPAC2-[N-butyl-5-chloro-2-[(2-methoxyethylamino)methyl]anilino]ethanol
SMILESCCCCN(CCO)c1cc(Cl)ccc1CNCCOC
InChIInChI=1S/C16H27ClN2O2/c1-3-4-8-19(9-10-20)16-12-15(17)6-5-14(16)13-18-7-11-21-2/h5-6,12,18,20H,3-4,7-11,13H2,1-2H3
InChIKeyWUOQQBADSXTHRO-UHFFFAOYSA-N
MW314.86 g/mol
LogP2.67
Rot. Bonds11

About 2-[N-butyl-5-chloro-2-[(2-methoxyethylamino)methyl]anilino]ethanol

2-[N-butyl-5-chloro-2-[(2-methoxyethylamino)methyl]anilino]ethanol (PubChem CID 114849250) has the molecular formula C16H27ClN2O2 and a molecular weight of 314.86 g/mol. Its IUPAC name is 2-[N-butyl-5-chloro-2-[(2-methoxyethylamino)methyl]anilino]ethanol.

Molecular Properties

Compound Name2-[N-butyl-5-chloro-2-[(2-methoxyethylamino)methyl]anilino]ethanol
PubChem CID114849250
Molecular FormulaC16H27ClN2O2
Molecular Weight314.86 g/mol
Exact Mass314.18
IUPAC Name2-[N-butyl-5-chloro-2-[(2-methoxyethylamino)methyl]anilino]ethanol
SMILESCCCCN(CCO)c1cc(Cl)ccc1CNCCOC
InChIInChI=1S/C16H27ClN2O2/c1-3-4-8-19(9-10-20)16-12-15(17)6-5-14(16)13-18-7-11-21-2/h5-6,12,18,20H,3-4,7-11,13H2,1-2H3
InChIKeyWUOQQBADSXTHRO-UHFFFAOYSA-N
XLogP2.67
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 52.67
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-N-(2-ethoxyethyl)-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline
CID 114851380
N-butyl-4-chloro-2-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 114847405
5-chloro-2-[(2-methoxyethylamino)methyl]-N-methyl-N-pentan-3-ylaniline
CID 114848415
N,N-dibutyl-5-chloro-2-(methylaminomethyl)aniline
CID 114847834
5-chloro-2-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline
CID 114853324
N-butyl-N-ethyl-4-[(2-methoxyethylamino)methyl]-3-methylaniline
CID 63058733
1-[5-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]propan-2-ol
CID 114850641
5-chloro-N-cyclopropyl-2-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 114847908
5-chloro-2-[(2-methoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 114848617
5-chloro-2-[(2-methoxyethylamino)methyl]-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 114849967
5-chloro-2-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 114853034
5-chloro-2-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline
CID 114853300

Frequently Asked Questions

What is the IUPAC name of 2-[N-butyl-5-chloro-2-[(2-methoxyethylamino)methyl]anilino]ethanol?
The IUPAC name of 2-[N-butyl-5-chloro-2-[(2-methoxyethylamino)methyl]anilino]ethanol (CID 114849250) is 2-[N-butyl-5-chloro-2-[(2-methoxyethylamino)methyl]anilino]ethanol.
What is the SMILES notation for 2-[N-butyl-5-chloro-2-[(2-methoxyethylamino)methyl]anilino]ethanol?
The canonical SMILES for 2-[N-butyl-5-chloro-2-[(2-methoxyethylamino)methyl]anilino]ethanol is CCCCN(CCO)c1cc(Cl)ccc1CNCCOC.
What is the InChIKey of 2-[N-butyl-5-chloro-2-[(2-methoxyethylamino)methyl]anilino]ethanol?
The InChIKey is WUOQQBADSXTHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN2O2/c1-3-4-8-19(9-10-20)16-12-15(17)6-5-14(16)13-18-7-11-21-2/h5-6,12,18,20H,3-4,7-11,13H2,1-2H3.
What are the key properties of 2-[N-butyl-5-chloro-2-[(2-methoxyethylamino)methyl]anilino]ethanol?
2-[N-butyl-5-chloro-2-[(2-methoxyethylamino)methyl]anilino]ethanol has a molecular weight of 314.86 g/mol, XLogP of 2.67, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-butyl-5-chloro-2-[(2-methoxyethylamino)methyl]anilino]ethanol is sourced from PubChem (CID 114849250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).