5-chloro-2-(methylaminomethyl)-N,N-dipropylaniline

C14H23ClN2 — CID 114847371

IUPAC5-chloro-2-(methylaminomethyl)-N,N-dipropylaniline
SMILESCCCN(CCC)c1cc(Cl)ccc1CNC
InChIInChI=1S/C14H23ClN2/c1-4-8-17(9-5-2)14-10-13(15)7-6-12(14)11-16-3/h6-7,10,16H,4-5,8-9,11H2,1-3H3
InChIKeyZXWCCGOYUWFMJR-UHFFFAOYSA-N
MW254.80 g/mol
LogP3.69
Rot. Bonds7

About 5-chloro-2-(methylaminomethyl)-N,N-dipropylaniline

5-chloro-2-(methylaminomethyl)-N,N-dipropylaniline (PubChem CID 114847371) has the molecular formula C14H23ClN2 and a molecular weight of 254.80 g/mol. Its IUPAC name is 5-chloro-2-(methylaminomethyl)-N,N-dipropylaniline.

Molecular Properties

Compound Name5-chloro-2-(methylaminomethyl)-N,N-dipropylaniline
PubChem CID114847371
Molecular FormulaC14H23ClN2
Molecular Weight254.80 g/mol
Exact Mass254.15
IUPAC Name5-chloro-2-(methylaminomethyl)-N,N-dipropylaniline
SMILESCCCN(CCC)c1cc(Cl)ccc1CNC
InChIInChI=1S/C14H23ClN2/c1-4-8-17(9-5-2)14-10-13(15)7-6-12(14)11-16-3/h6-7,10,16H,4-5,8-9,11H2,1-3H3
InChIKeyZXWCCGOYUWFMJR-UHFFFAOYSA-N
XLogP3.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.80
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dibutyl-5-chloro-2-(methylaminomethyl)aniline
CID 114847834
2-[5-chloro-2-(methylaminomethyl)-N-propylanilino]-N,N-dimethylacetamide
CID 114849652
4-chloro-N-ethyl-2-(methylaminomethyl)-N-propylaniline
CID 114847967
5-chloro-N-ethyl-N-methyl-2-(methylaminomethyl)aniline
CID 114847884
4-chloro-2-(ethylaminomethyl)-N,N-dipropylaniline
CID 114847374
5-chloro-N-(cyclopropylmethyl)-N-propyl-2-(propylaminomethyl)aniline
CID 114849138
5-chloro-N-ethyl-2-(methylaminomethyl)-N-(4-methylphenyl)aniline
CID 114850462
2-[(tert-butylamino)methyl]-5-chloro-N-(cyclopropylmethyl)-N-propylaniline
CID 114849135
2-[5-chloro-N-methyl-2-(methylaminomethyl)anilino]-N-propylacetamide
CID 114849378
5-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-2-(methylaminomethyl)aniline
CID 114850215
1-(2,4-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839755
4-chloro-2-(dipropylamino)benzoic acid
CID 63515020

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(methylaminomethyl)-N,N-dipropylaniline?
The IUPAC name of 5-chloro-2-(methylaminomethyl)-N,N-dipropylaniline (CID 114847371) is 5-chloro-2-(methylaminomethyl)-N,N-dipropylaniline.
What is the SMILES notation for 5-chloro-2-(methylaminomethyl)-N,N-dipropylaniline?
The canonical SMILES for 5-chloro-2-(methylaminomethyl)-N,N-dipropylaniline is CCCN(CCC)c1cc(Cl)ccc1CNC.
What is the InChIKey of 5-chloro-2-(methylaminomethyl)-N,N-dipropylaniline?
The InChIKey is ZXWCCGOYUWFMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2/c1-4-8-17(9-5-2)14-10-13(15)7-6-12(14)11-16-3/h6-7,10,16H,4-5,8-9,11H2,1-3H3.
What are the key properties of 5-chloro-2-(methylaminomethyl)-N,N-dipropylaniline?
5-chloro-2-(methylaminomethyl)-N,N-dipropylaniline has a molecular weight of 254.80 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(methylaminomethyl)-N,N-dipropylaniline is sourced from PubChem (CID 114847371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).