4-chloro-2-(ethylaminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)aniline

C15H23ClN2O — CID 114848960

IUPAC4-chloro-2-(ethylaminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)aniline
SMILESCCNCc1cc(Cl)ccc1N(C)CC1CCCO1
InChIInChI=1S/C15H23ClN2O/c1-3-17-10-12-9-13(16)6-7-15(12)18(2)11-14-5-4-8-19-14/h6-7,9,14,17H,3-5,8,10-11H2,1-2H3
InChIKeySURWZYSOFMGLHQ-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.06
Rot. Bonds6

About 4-chloro-2-(ethylaminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)aniline

4-chloro-2-(ethylaminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)aniline (PubChem CID 114848960) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 4-chloro-2-(ethylaminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-chloro-2-(ethylaminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)aniline
PubChem CID114848960
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name4-chloro-2-(ethylaminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)aniline
SMILESCCNCc1cc(Cl)ccc1N(C)CC1CCCO1
InChIInChI=1S/C15H23ClN2O/c1-3-17-10-12-9-13(16)6-7-15(12)18(2)11-14-5-4-8-19-14/h6-7,9,14,17H,3-5,8,10-11H2,1-2H3
InChIKeySURWZYSOFMGLHQ-UHFFFAOYSA-N
XLogP3.06
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-methyl-N-(oxolan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]aniline
CID 114848952
4-chloro-N-methyl-2-(methylaminomethyl)-N-(oxan-2-ylmethyl)aniline
CID 114848966
2-(2-aminobutyl)-4-chloro-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 114861239
4-(ethylaminomethyl)-2-fluoro-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 61432117
5-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 114848953
2-(2-aminobutyl)-5-chloro-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 114861241
4-chloro-2-(ethylaminomethyl)-N-methyl-N-propylaniline
CID 114848022
(E)-3-[5-chloro-2-[methyl(oxolan-2-ylmethyl)amino]phenyl]prop-2-enoic acid
CID 114858254
[5-methyl-2-[methyl(oxolan-2-ylmethyl)amino]phenyl]methanol
CID 114054435
2-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 81149095
N-methyl-2-(methylaminomethyl)-N-(oxolan-2-ylmethyl)aniline
CID 61431971
5-chloro-2-[methyl(oxan-2-ylmethyl)amino]benzenecarboximidamide
CID 62493777

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(ethylaminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)aniline?
The IUPAC name of 4-chloro-2-(ethylaminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)aniline (CID 114848960) is 4-chloro-2-(ethylaminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)aniline.
What is the SMILES notation for 4-chloro-2-(ethylaminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)aniline?
The canonical SMILES for 4-chloro-2-(ethylaminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)aniline is CCNCc1cc(Cl)ccc1N(C)CC1CCCO1.
What is the InChIKey of 4-chloro-2-(ethylaminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)aniline?
The InChIKey is SURWZYSOFMGLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-3-17-10-12-9-13(16)6-7-15(12)18(2)11-14-5-4-8-19-14/h6-7,9,14,17H,3-5,8,10-11H2,1-2H3.
What are the key properties of 4-chloro-2-(ethylaminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)aniline?
4-chloro-2-(ethylaminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)aniline has a molecular weight of 282.81 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(ethylaminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)aniline is sourced from PubChem (CID 114848960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).