4-chloro-N-methyl-2-(methylaminomethyl)-N-(oxan-2-ylmethyl)aniline

C15H23ClN2O — CID 114848966

IUPAC4-chloro-N-methyl-2-(methylaminomethyl)-N-(oxan-2-ylmethyl)aniline
SMILESCNCc1cc(Cl)ccc1N(C)CC1CCCCO1
InChIInChI=1S/C15H23ClN2O/c1-17-10-12-9-13(16)6-7-15(12)18(2)11-14-5-3-4-8-19-14/h6-7,9,14,17H,3-5,8,10-11H2,1-2H3
InChIKeyIVUPKUFNDNQALB-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.06
Rot. Bonds5

About 4-chloro-N-methyl-2-(methylaminomethyl)-N-(oxan-2-ylmethyl)aniline

4-chloro-N-methyl-2-(methylaminomethyl)-N-(oxan-2-ylmethyl)aniline (PubChem CID 114848966) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 4-chloro-N-methyl-2-(methylaminomethyl)-N-(oxan-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-chloro-N-methyl-2-(methylaminomethyl)-N-(oxan-2-ylmethyl)aniline
PubChem CID114848966
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name4-chloro-N-methyl-2-(methylaminomethyl)-N-(oxan-2-ylmethyl)aniline
SMILESCNCc1cc(Cl)ccc1N(C)CC1CCCCO1
InChIInChI=1S/C15H23ClN2O/c1-17-10-12-9-13(16)6-7-15(12)18(2)11-14-5-3-4-8-19-14/h6-7,9,14,17H,3-5,8,10-11H2,1-2H3
InChIKeyIVUPKUFNDNQALB-UHFFFAOYSA-N
XLogP3.06
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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-2-(ethylaminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 114848960
4-chloro-N-methyl-N-(oxolan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]aniline
CID 114848952
N-methyl-2-(methylaminomethyl)-N-(oxolan-2-ylmethyl)aniline
CID 61431971
5-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 114848953
2-(2-aminobutyl)-4-chloro-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 114861239
5-chloro-2-[methyl(oxan-2-ylmethyl)amino]benzenecarboximidamide
CID 62493777
4-(2-aminoethyl)-2-chloro-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 81165783
2-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 61432443
5-amino-2-[methyl(oxan-2-ylmethyl)amino]benzonitrile
CID 61431148
3-chloro-N-methyl-5-(methylaminomethyl)-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 62281998
2-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 81149095
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 86911707

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-2-(methylaminomethyl)-N-(oxan-2-ylmethyl)aniline?
The IUPAC name of 4-chloro-N-methyl-2-(methylaminomethyl)-N-(oxan-2-ylmethyl)aniline (CID 114848966) is 4-chloro-N-methyl-2-(methylaminomethyl)-N-(oxan-2-ylmethyl)aniline.
What is the SMILES notation for 4-chloro-N-methyl-2-(methylaminomethyl)-N-(oxan-2-ylmethyl)aniline?
The canonical SMILES for 4-chloro-N-methyl-2-(methylaminomethyl)-N-(oxan-2-ylmethyl)aniline is CNCc1cc(Cl)ccc1N(C)CC1CCCCO1.
What is the InChIKey of 4-chloro-N-methyl-2-(methylaminomethyl)-N-(oxan-2-ylmethyl)aniline?
The InChIKey is IVUPKUFNDNQALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-17-10-12-9-13(16)6-7-15(12)18(2)11-14-5-3-4-8-19-14/h6-7,9,14,17H,3-5,8,10-11H2,1-2H3.
What are the key properties of 4-chloro-N-methyl-2-(methylaminomethyl)-N-(oxan-2-ylmethyl)aniline?
4-chloro-N-methyl-2-(methylaminomethyl)-N-(oxan-2-ylmethyl)aniline has a molecular weight of 282.81 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-2-(methylaminomethyl)-N-(oxan-2-ylmethyl)aniline is sourced from PubChem (CID 114848966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).