3-chloro-N-cyclopropyl-2-[(cyclopropylamino)methyl]-N-methylaniline

C14H19ClN2 — CID 43281657

IUPAC3-chloro-N-cyclopropyl-2-[(cyclopropylamino)methyl]-N-methylaniline
SMILESCN(c1cccc(Cl)c1CNC1CC1)C1CC1
InChIInChI=1S/C14H19ClN2/c1-17(11-7-8-11)14-4-2-3-13(15)12(14)9-16-10-5-6-10/h2-4,10-11,16H,5-9H2,1H3
InChIKeyUIQQYWWRQJOOHJ-UHFFFAOYSA-N
MW250.77 g/mol
LogP3.19
Rot. Bonds5

About 3-chloro-N-cyclopropyl-2-[(cyclopropylamino)methyl]-N-methylaniline

3-chloro-N-cyclopropyl-2-[(cyclopropylamino)methyl]-N-methylaniline (PubChem CID 43281657) has the molecular formula C14H19ClN2 and a molecular weight of 250.77 g/mol. Its IUPAC name is 3-chloro-N-cyclopropyl-2-[(cyclopropylamino)methyl]-N-methylaniline.

Molecular Properties

Compound Name3-chloro-N-cyclopropyl-2-[(cyclopropylamino)methyl]-N-methylaniline
PubChem CID43281657
Molecular FormulaC14H19ClN2
Molecular Weight250.77 g/mol
Exact Mass250.12
IUPAC Name3-chloro-N-cyclopropyl-2-[(cyclopropylamino)methyl]-N-methylaniline
SMILESCN(c1cccc(Cl)c1CNC1CC1)C1CC1
InChIInChI=1S/C14H19ClN2/c1-17(11-7-8-11)14-4-2-3-13(15)12(14)9-16-10-5-6-10/h2-4,10-11,16H,5-9H2,1H3
InChIKeyUIQQYWWRQJOOHJ-UHFFFAOYSA-N
XLogP3.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-propylaniline
CID 43281893
3-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(3-methylphenyl)aniline
CID 63551219
3-chloro-N-(cyclohexylmethyl)-2-[(cyclopropylamino)methyl]-N-methylaniline
CID 63552294
2-[(tert-butylamino)methyl]-3-chloro-N-cyclopentyl-N-methylaniline
CID 63552442
2-[3-chloro-2-[(cyclopropylamino)methyl]-N-methylanilino]-N,N-dimethylacetamide
CID 43375220
3-chloro-2-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N-methylaniline
CID 43527133
2-(aminomethyl)-3-chloro-N-methyl-N-(4-methylcyclohexyl)aniline
CID 61437395
N-[(2,6-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63454775
3-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 61431824
N-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]cyclopropanamine
CID 83307890
N-[(2-tert-butylsulfanyl-6-chlorophenyl)methyl]cyclopropanamine
CID 63805892
2-(2-aminopropyl)-3-chloro-N-methyl-N-(4-methylcyclohexyl)aniline
CID 63817071

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclopropyl-2-[(cyclopropylamino)methyl]-N-methylaniline?
The IUPAC name of 3-chloro-N-cyclopropyl-2-[(cyclopropylamino)methyl]-N-methylaniline (CID 43281657) is 3-chloro-N-cyclopropyl-2-[(cyclopropylamino)methyl]-N-methylaniline.
What is the SMILES notation for 3-chloro-N-cyclopropyl-2-[(cyclopropylamino)methyl]-N-methylaniline?
The canonical SMILES for 3-chloro-N-cyclopropyl-2-[(cyclopropylamino)methyl]-N-methylaniline is CN(c1cccc(Cl)c1CNC1CC1)C1CC1.
What is the InChIKey of 3-chloro-N-cyclopropyl-2-[(cyclopropylamino)methyl]-N-methylaniline?
The InChIKey is UIQQYWWRQJOOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2/c1-17(11-7-8-11)14-4-2-3-13(15)12(14)9-16-10-5-6-10/h2-4,10-11,16H,5-9H2,1H3.
What are the key properties of 3-chloro-N-cyclopropyl-2-[(cyclopropylamino)methyl]-N-methylaniline?
3-chloro-N-cyclopropyl-2-[(cyclopropylamino)methyl]-N-methylaniline has a molecular weight of 250.77 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclopropyl-2-[(cyclopropylamino)methyl]-N-methylaniline is sourced from PubChem (CID 43281657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).