2-[1-(1-aminoethyl)cyclopropyl]-4-methoxy-N,N-dimethylaniline

C14H22N2O — CID 117341054

IUPAC2-[1-(1-aminoethyl)cyclopropyl]-4-methoxy-N,N-dimethylaniline
SMILESCOc1ccc(N(C)C)c(C2(C(C)N)CC2)c1
InChIInChI=1S/C14H22N2O/c1-10(15)14(7-8-14)12-9-11(17-4)5-6-13(12)16(2)3/h5-6,9-10H,7-8,15H2,1-4H3
InChIKeyFDGGYCPMIUUTQL-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.14
Rot. Bonds4

About 2-[1-(1-aminoethyl)cyclopropyl]-4-methoxy-N,N-dimethylaniline

2-[1-(1-aminoethyl)cyclopropyl]-4-methoxy-N,N-dimethylaniline (PubChem CID 117341054) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[1-(1-aminoethyl)cyclopropyl]-4-methoxy-N,N-dimethylaniline.

Molecular Properties

Compound Name2-[1-(1-aminoethyl)cyclopropyl]-4-methoxy-N,N-dimethylaniline
PubChem CID117341054
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-[1-(1-aminoethyl)cyclopropyl]-4-methoxy-N,N-dimethylaniline
SMILESCOc1ccc(N(C)C)c(C2(C(C)N)CC2)c1
InChIInChI=1S/C14H22N2O/c1-10(15)14(7-8-14)12-9-11(17-4)5-6-13(12)16(2)3/h5-6,9-10H,7-8,15H2,1-4H3
InChIKeyFDGGYCPMIUUTQL-UHFFFAOYSA-N
XLogP2.14
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[1-(1-aminoethyl)cyclopropyl]-4-fluoro-N,N-dimethylaniline
CID 117318626
2-[1-(1-aminoethyl)cyclopropyl]-5-methoxyphenol
CID 117296056
4-methoxy-N,N-dimethyl-2-(2-methylpyrrolidin-2-yl)aniline
CID 117341086
1-[3-(6-methoxynaphthalen-2-yl)oxetan-3-yl]ethanamine
CID 116869429
1-[1-(2-ethyl-3,5-dimethoxyphenyl)cyclopropyl]ethanamine
CID 117377087
4-[1-(1-aminoethyl)cyclopropyl]-2-bromo-N,N-dimethylaniline
CID 117455098
1-[3-(2-chloro-4-methoxyphenyl)oxetan-3-yl]ethanamine
CID 116869379
1-[1-(5-bromo-4-fluoro-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117465007
1-[1-(2-methoxy-5-methylsulfanylphenyl)cyclopropyl]ethanamine
CID 117347796
5-[1-(1-aminoethyl)cyclopropyl]-2-fluoro-N,N-dimethylaniline
CID 117118391
1-[1-(2,4-dimethoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 117413676
1-[1-(5-cyclopentyl-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117402808

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-aminoethyl)cyclopropyl]-4-methoxy-N,N-dimethylaniline?
The IUPAC name of 2-[1-(1-aminoethyl)cyclopropyl]-4-methoxy-N,N-dimethylaniline (CID 117341054) is 2-[1-(1-aminoethyl)cyclopropyl]-4-methoxy-N,N-dimethylaniline.
What is the SMILES notation for 2-[1-(1-aminoethyl)cyclopropyl]-4-methoxy-N,N-dimethylaniline?
The canonical SMILES for 2-[1-(1-aminoethyl)cyclopropyl]-4-methoxy-N,N-dimethylaniline is COc1ccc(N(C)C)c(C2(C(C)N)CC2)c1.
What is the InChIKey of 2-[1-(1-aminoethyl)cyclopropyl]-4-methoxy-N,N-dimethylaniline?
The InChIKey is FDGGYCPMIUUTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10(15)14(7-8-14)12-9-11(17-4)5-6-13(12)16(2)3/h5-6,9-10H,7-8,15H2,1-4H3.
What are the key properties of 2-[1-(1-aminoethyl)cyclopropyl]-4-methoxy-N,N-dimethylaniline?
2-[1-(1-aminoethyl)cyclopropyl]-4-methoxy-N,N-dimethylaniline has a molecular weight of 234.34 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-aminoethyl)cyclopropyl]-4-methoxy-N,N-dimethylaniline is sourced from PubChem (CID 117341054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).