N-methyl-2-[2-(1-methylcyclopropyl)phenyl]ethanamine

C13H19N — CID 90695269

IUPACN-methyl-2-[2-(1-methylcyclopropyl)phenyl]ethanamine
SMILESCNCCc1ccccc1C1(C)CC1
InChIInChI=1S/C13H19N/c1-13(8-9-13)12-6-4-3-5-11(12)7-10-14-2/h3-6,14H,7-10H2,1-2H3
InChIKeyANNLCVJSARQRIT-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.50
Rot. Bonds4

About N-methyl-2-[2-(1-methylcyclopropyl)phenyl]ethanamine

N-methyl-2-[2-(1-methylcyclopropyl)phenyl]ethanamine (PubChem CID 90695269) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is N-methyl-2-[2-(1-methylcyclopropyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[2-(1-methylcyclopropyl)phenyl]ethanamine
PubChem CID90695269
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC NameN-methyl-2-[2-(1-methylcyclopropyl)phenyl]ethanamine
SMILESCNCCc1ccccc1C1(C)CC1
InChIInChI=1S/C13H19N/c1-13(8-9-13)12-6-4-3-5-11(12)7-10-14-2/h3-6,14H,7-10H2,1-2H3
InChIKeyANNLCVJSARQRIT-UHFFFAOYSA-N
XLogP2.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(1-methylcyclopropyl)phenyl]ethanamine?
The IUPAC name of N-methyl-2-[2-(1-methylcyclopropyl)phenyl]ethanamine (CID 90695269) is N-methyl-2-[2-(1-methylcyclopropyl)phenyl]ethanamine.
What is the SMILES notation for N-methyl-2-[2-(1-methylcyclopropyl)phenyl]ethanamine?
The canonical SMILES for N-methyl-2-[2-(1-methylcyclopropyl)phenyl]ethanamine is CNCCc1ccccc1C1(C)CC1.
What is the InChIKey of N-methyl-2-[2-(1-methylcyclopropyl)phenyl]ethanamine?
The InChIKey is ANNLCVJSARQRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-13(8-9-13)12-6-4-3-5-11(12)7-10-14-2/h3-6,14H,7-10H2,1-2H3.
What are the key properties of N-methyl-2-[2-(1-methylcyclopropyl)phenyl]ethanamine?
N-methyl-2-[2-(1-methylcyclopropyl)phenyl]ethanamine has a molecular weight of 189.30 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(1-methylcyclopropyl)phenyl]ethanamine is sourced from PubChem (CID 90695269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).