3-chloro-N-methyl-2-(methylaminomethyl)-N-pentan-3-ylaniline

C14H23ClN2 — CID 43571403

IUPAC3-chloro-N-methyl-2-(methylaminomethyl)-N-pentan-3-ylaniline
SMILESCCC(CC)N(C)c1cccc(Cl)c1CNC
InChIInChI=1S/C14H23ClN2/c1-5-11(6-2)17(4)14-9-7-8-13(15)12(14)10-16-3/h7-9,11,16H,5-6,10H2,1-4H3
InChIKeyCXLZIZWODWCZBR-UHFFFAOYSA-N
MW254.80 g/mol
LogP3.68
Rot. Bonds6

About 3-chloro-N-methyl-2-(methylaminomethyl)-N-pentan-3-ylaniline

3-chloro-N-methyl-2-(methylaminomethyl)-N-pentan-3-ylaniline (PubChem CID 43571403) has the molecular formula C14H23ClN2 and a molecular weight of 254.80 g/mol. Its IUPAC name is 3-chloro-N-methyl-2-(methylaminomethyl)-N-pentan-3-ylaniline.

Molecular Properties

Compound Name3-chloro-N-methyl-2-(methylaminomethyl)-N-pentan-3-ylaniline
PubChem CID43571403
Molecular FormulaC14H23ClN2
Molecular Weight254.80 g/mol
Exact Mass254.15
IUPAC Name3-chloro-N-methyl-2-(methylaminomethyl)-N-pentan-3-ylaniline
SMILESCCC(CC)N(C)c1cccc(Cl)c1CNC
InChIInChI=1S/C14H23ClN2/c1-5-11(6-2)17(4)14-9-7-8-13(15)12(14)10-16-3/h7-9,11,16H,5-6,10H2,1-4H3
InChIKeyCXLZIZWODWCZBR-UHFFFAOYSA-N
XLogP3.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.80
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-(1-cyclopropylethyl)-N-methyl-2-(methylaminomethyl)aniline
CID 43569413
2-[(tert-butylamino)methyl]-3-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline
CID 115986284
1-(2,6-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839804
3-chloro-N-ethyl-2-(methylaminomethyl)-N-(2-methylphenyl)aniline
CID 43280695
3-chloro-N-methyl-2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)aniline
CID 60893128
2-chloro-6-[methyl(pentan-3-yl)amino]benzoic acid
CID 43571282
3-chloro-N-methyl-2-(methylaminomethyl)-N-(2-phenylethyl)aniline
CID 65488208
3-[3-chloro-N-methyl-2-(methylaminomethyl)anilino]-N,2-dimethylpropanamide
CID 106916853
3-chloro-N-methyl-2-(methylaminomethyl)-N-(pyridin-4-ylmethyl)aniline
CID 43564469
3-chloro-N-[(3-chlorophenyl)methyl]-N-methyl-2-(methylaminomethyl)aniline
CID 63551540
3-chloro-N,N-bis(2-methoxyethyl)-2-(methylaminomethyl)aniline
CID 61418447
3-chloro-N-methyl-2-(methylaminomethyl)-N-[(3-methylphenyl)methyl]aniline
CID 61411575

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-2-(methylaminomethyl)-N-pentan-3-ylaniline?
The IUPAC name of 3-chloro-N-methyl-2-(methylaminomethyl)-N-pentan-3-ylaniline (CID 43571403) is 3-chloro-N-methyl-2-(methylaminomethyl)-N-pentan-3-ylaniline.
What is the SMILES notation for 3-chloro-N-methyl-2-(methylaminomethyl)-N-pentan-3-ylaniline?
The canonical SMILES for 3-chloro-N-methyl-2-(methylaminomethyl)-N-pentan-3-ylaniline is CCC(CC)N(C)c1cccc(Cl)c1CNC.
What is the InChIKey of 3-chloro-N-methyl-2-(methylaminomethyl)-N-pentan-3-ylaniline?
The InChIKey is CXLZIZWODWCZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2/c1-5-11(6-2)17(4)14-9-7-8-13(15)12(14)10-16-3/h7-9,11,16H,5-6,10H2,1-4H3.
What are the key properties of 3-chloro-N-methyl-2-(methylaminomethyl)-N-pentan-3-ylaniline?
3-chloro-N-methyl-2-(methylaminomethyl)-N-pentan-3-ylaniline has a molecular weight of 254.80 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-2-(methylaminomethyl)-N-pentan-3-ylaniline is sourced from PubChem (CID 43571403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).