N-[1-(2,6-dimethylphenyl)ethyl]cyclopropanamine

C13H19N — CID 130674214

IUPACN-[1-(2,6-dimethylphenyl)ethyl]cyclopropanamine
SMILESCc1cccc(C)c1C(C)NC1CC1
InChIInChI=1S/C13H19N/c1-9-5-4-6-10(2)13(9)11(3)14-12-7-8-12/h4-6,11-12,14H,7-8H2,1-3H3
InChIKeyQISFVNGBMYSADL-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.12
Rot. Bonds3

About N-[1-(2,6-dimethylphenyl)ethyl]cyclopropanamine

N-[1-(2,6-dimethylphenyl)ethyl]cyclopropanamine (PubChem CID 130674214) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is N-[1-(2,6-dimethylphenyl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[1-(2,6-dimethylphenyl)ethyl]cyclopropanamine
PubChem CID130674214
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC NameN-[1-(2,6-dimethylphenyl)ethyl]cyclopropanamine
SMILESCc1cccc(C)c1C(C)NC1CC1
InChIInChI=1S/C13H19N/c1-9-5-4-6-10(2)13(9)11(3)14-12-7-8-12/h4-6,11-12,14H,7-8H2,1-3H3
InChIKeyQISFVNGBMYSADL-UHFFFAOYSA-N
XLogP3.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-N-[1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 43081539
4-N-[1-(2,6-difluorophenyl)ethyl]cyclohexane-1,4-diamine
CID 62314218
2-[1-(cyclooctylamino)ethyl]benzene-1,3-diol
CID 107710365
4-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 113414416
N-[1-(4-methylphenyl)ethyl]cyclopropanamine
CID 16771025
2-[1-[(4,4-dimethylcyclohexyl)amino]ethyl]benzene-1,3-diol
CID 107710994
2-[1-[(4-propylcyclohexyl)amino]ethyl]benzene-1,3-diol
CID 107710869
N-[(1R)-1-(2-methylphenyl)ethyl]oxan-4-amine
CID 81373739
N-[(1S)-1-(2-methylphenyl)ethyl]oxan-4-amine
CID 81374300
4,4-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 81373520
N-[1-(3-bromo-2-fluorophenyl)ethyl]cyclopropanamine
CID 169245628
3-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]cyclopentan-1-amine
CID 81374284

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-dimethylphenyl)ethyl]cyclopropanamine?
The IUPAC name of N-[1-(2,6-dimethylphenyl)ethyl]cyclopropanamine (CID 130674214) is N-[1-(2,6-dimethylphenyl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[1-(2,6-dimethylphenyl)ethyl]cyclopropanamine?
The canonical SMILES for N-[1-(2,6-dimethylphenyl)ethyl]cyclopropanamine is Cc1cccc(C)c1C(C)NC1CC1.
What is the InChIKey of N-[1-(2,6-dimethylphenyl)ethyl]cyclopropanamine?
The InChIKey is QISFVNGBMYSADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-9-5-4-6-10(2)13(9)11(3)14-12-7-8-12/h4-6,11-12,14H,7-8H2,1-3H3.
What are the key properties of N-[1-(2,6-dimethylphenyl)ethyl]cyclopropanamine?
N-[1-(2,6-dimethylphenyl)ethyl]cyclopropanamine has a molecular weight of 189.30 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-dimethylphenyl)ethyl]cyclopropanamine is sourced from PubChem (CID 130674214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).