5-[1-(aminomethyl)cyclopropyl]-2-chloro-N,N-dimethylaniline

C12H17ClN2 — CID 117112205

IUPAC5-[1-(aminomethyl)cyclopropyl]-2-chloro-N,N-dimethylaniline
SMILESCN(C)c1cc(C2(CN)CC2)ccc1Cl
InChIInChI=1S/C12H17ClN2/c1-15(2)11-7-9(3-4-10(11)13)12(8-14)5-6-12/h3-4,7H,5-6,8,14H2,1-2H3
InChIKeyJOPMMPLITGGQFM-UHFFFAOYSA-N
MW224.74 g/mol
LogP2.40
Rot. Bonds3

About 5-[1-(aminomethyl)cyclopropyl]-2-chloro-N,N-dimethylaniline

5-[1-(aminomethyl)cyclopropyl]-2-chloro-N,N-dimethylaniline (PubChem CID 117112205) has the molecular formula C12H17ClN2 and a molecular weight of 224.74 g/mol. Its IUPAC name is 5-[1-(aminomethyl)cyclopropyl]-2-chloro-N,N-dimethylaniline.

Molecular Properties

Compound Name5-[1-(aminomethyl)cyclopropyl]-2-chloro-N,N-dimethylaniline
PubChem CID117112205
Molecular FormulaC12H17ClN2
Molecular Weight224.74 g/mol
Exact Mass224.11
IUPAC Name5-[1-(aminomethyl)cyclopropyl]-2-chloro-N,N-dimethylaniline
SMILESCN(C)c1cc(C2(CN)CC2)ccc1Cl
InChIInChI=1S/C12H17ClN2/c1-15(2)11-7-9(3-4-10(11)13)12(8-14)5-6-12/h3-4,7H,5-6,8,14H2,1-2H3
InChIKeyJOPMMPLITGGQFM-UHFFFAOYSA-N
XLogP2.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.74
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-bromo-4-chlorophenyl)cyclopropyl]methanamine
CID 83735493
1-[4-chloro-3-(dimethylamino)phenyl]cyclopropan-1-ol
CID 117117417
4-[1-(aminomethyl)cyclobutyl]-2-fluoro-N,N-dimethylaniline
CID 117318635
4-[1-(aminomethyl)cyclobutyl]-2-bromo-N,N-dimethylaniline
CID 117455123
[1-(3-chloro-4-fluorophenyl)cyclopropyl]methanamine;methanol
CID 143403316
5-[1-(aminomethyl)cyclopentyl]-2-chlorophenol
CID 84790699
[1-[3-chloro-4-(2-methylpropyl)phenyl]cyclopropyl]methanamine
CID 105424377
[1-(3-chloro-4-propan-2-ylsulfanylphenyl)cyclopropyl]methanamine
CID 105424365
[1-(6-chloronaphthalen-2-yl)cyclopropyl]methanamine
CID 105490366
[1-(4-butan-2-yl-3-chlorophenyl)cyclopropyl]methanamine
CID 117348294
[1-(3-chloro-4-methylphenyl)cyclohexyl]methanamine
CID 83824553
[1-(7-methylnaphthalen-2-yl)cyclopropyl]methanamine
CID 105465206

Frequently Asked Questions

What is the IUPAC name of 5-[1-(aminomethyl)cyclopropyl]-2-chloro-N,N-dimethylaniline?
The IUPAC name of 5-[1-(aminomethyl)cyclopropyl]-2-chloro-N,N-dimethylaniline (CID 117112205) is 5-[1-(aminomethyl)cyclopropyl]-2-chloro-N,N-dimethylaniline.
What is the SMILES notation for 5-[1-(aminomethyl)cyclopropyl]-2-chloro-N,N-dimethylaniline?
The canonical SMILES for 5-[1-(aminomethyl)cyclopropyl]-2-chloro-N,N-dimethylaniline is CN(C)c1cc(C2(CN)CC2)ccc1Cl.
What is the InChIKey of 5-[1-(aminomethyl)cyclopropyl]-2-chloro-N,N-dimethylaniline?
The InChIKey is JOPMMPLITGGQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-15(2)11-7-9(3-4-10(11)13)12(8-14)5-6-12/h3-4,7H,5-6,8,14H2,1-2H3.
What are the key properties of 5-[1-(aminomethyl)cyclopropyl]-2-chloro-N,N-dimethylaniline?
5-[1-(aminomethyl)cyclopropyl]-2-chloro-N,N-dimethylaniline has a molecular weight of 224.74 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(aminomethyl)cyclopropyl]-2-chloro-N,N-dimethylaniline is sourced from PubChem (CID 117112205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).