3-chloro-N-(1-cyclopropylethyl)-N-methyl-2-(methylaminomethyl)aniline

C14H21ClN2 — CID 43569413

IUPAC3-chloro-N-(1-cyclopropylethyl)-N-methyl-2-(methylaminomethyl)aniline
SMILESCNCc1c(Cl)cccc1N(C)C(C)C1CC1
InChIInChI=1S/C14H21ClN2/c1-10(11-7-8-11)17(3)14-6-4-5-13(15)12(14)9-16-2/h4-6,10-11,16H,7-9H2,1-3H3
InChIKeyZRLCQMBDFZCWPB-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.29
Rot. Bonds5

About 3-chloro-N-(1-cyclopropylethyl)-N-methyl-2-(methylaminomethyl)aniline

3-chloro-N-(1-cyclopropylethyl)-N-methyl-2-(methylaminomethyl)aniline (PubChem CID 43569413) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 3-chloro-N-(1-cyclopropylethyl)-N-methyl-2-(methylaminomethyl)aniline.

Molecular Properties

Compound Name3-chloro-N-(1-cyclopropylethyl)-N-methyl-2-(methylaminomethyl)aniline
PubChem CID43569413
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name3-chloro-N-(1-cyclopropylethyl)-N-methyl-2-(methylaminomethyl)aniline
SMILESCNCc1c(Cl)cccc1N(C)C(C)C1CC1
InChIInChI=1S/C14H21ClN2/c1-10(11-7-8-11)17(3)14-6-4-5-13(15)12(14)9-16-2/h4-6,10-11,16H,7-9H2,1-3H3
InChIKeyZRLCQMBDFZCWPB-UHFFFAOYSA-N
XLogP3.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-1-N-(1-cyclopropylethyl)-1-N-methylbenzene-1,2-diamine
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1-(2,6-dichlorophenyl)-N-methylmethanamine;ethane
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3-chloro-N-(cyclobutylmethyl)-N-ethyl-2-(methylaminomethyl)aniline
CID 107399886
3-chloro-N-methyl-2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)aniline
CID 60893128
3-[3-chloro-N-methyl-2-(methylaminomethyl)anilino]-N,2-dimethylpropanamide
CID 106916853
3-chloro-N-cyclopropyl-2-[(cyclopropylamino)methyl]-N-methylaniline
CID 43281657
N-(1-cyclopropylethyl)-2-(ethylaminomethyl)-N-methylaniline
CID 43569387
2-chloro-4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-N-methylaniline
CID 81148855
3-chloro-N-(cyclohexylmethyl)-N-methyl-2-[(propan-2-ylamino)methyl]aniline
CID 63553038
3-chloro-N-methyl-2-(methylaminomethyl)-N-(2-phenylethyl)aniline
CID 65488208
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CID 43569240

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-cyclopropylethyl)-N-methyl-2-(methylaminomethyl)aniline?
The IUPAC name of 3-chloro-N-(1-cyclopropylethyl)-N-methyl-2-(methylaminomethyl)aniline (CID 43569413) is 3-chloro-N-(1-cyclopropylethyl)-N-methyl-2-(methylaminomethyl)aniline.
What is the SMILES notation for 3-chloro-N-(1-cyclopropylethyl)-N-methyl-2-(methylaminomethyl)aniline?
The canonical SMILES for 3-chloro-N-(1-cyclopropylethyl)-N-methyl-2-(methylaminomethyl)aniline is CNCc1c(Cl)cccc1N(C)C(C)C1CC1.
What is the InChIKey of 3-chloro-N-(1-cyclopropylethyl)-N-methyl-2-(methylaminomethyl)aniline?
The InChIKey is ZRLCQMBDFZCWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-10(11-7-8-11)17(3)14-6-4-5-13(15)12(14)9-16-2/h4-6,10-11,16H,7-9H2,1-3H3.
What are the key properties of 3-chloro-N-(1-cyclopropylethyl)-N-methyl-2-(methylaminomethyl)aniline?
3-chloro-N-(1-cyclopropylethyl)-N-methyl-2-(methylaminomethyl)aniline has a molecular weight of 252.79 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-cyclopropylethyl)-N-methyl-2-(methylaminomethyl)aniline is sourced from PubChem (CID 43569413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).