4-[1-[cyclopropyl(2-methoxyethyl)amino]ethyl]aniline

C14H22N2O — CID 54948492

IUPAC4-[1-[cyclopropyl(2-methoxyethyl)amino]ethyl]aniline
SMILESCOCCN(C1CC1)C(C)c1ccc(N)cc1
InChIInChI=1S/C14H22N2O/c1-11(12-3-5-13(15)6-4-12)16(9-10-17-2)14-7-8-14/h3-6,11,14H,7-10,15H2,1-2H3
InChIKeyCBLDMEQADNJUIO-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.44
Rot. Bonds6

About 4-[1-[cyclopropyl(2-methoxyethyl)amino]ethyl]aniline

4-[1-[cyclopropyl(2-methoxyethyl)amino]ethyl]aniline (PubChem CID 54948492) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-[1-[cyclopropyl(2-methoxyethyl)amino]ethyl]aniline.

Molecular Properties

Compound Name4-[1-[cyclopropyl(2-methoxyethyl)amino]ethyl]aniline
PubChem CID54948492
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-[1-[cyclopropyl(2-methoxyethyl)amino]ethyl]aniline
SMILESCOCCN(C1CC1)C(C)c1ccc(N)cc1
InChIInChI=1S/C14H22N2O/c1-11(12-3-5-13(15)6-4-12)16(9-10-17-2)14-7-8-14/h3-6,11,14H,7-10,15H2,1-2H3
InChIKeyCBLDMEQADNJUIO-UHFFFAOYSA-N
XLogP2.44
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[1-[cyclopropyl(3-methylbutyl)amino]ethyl]aniline
CID 78973906
N-(4-aminophenyl)-2-[cyclopropyl(2-methoxyethyl)amino]propanamide
CID 61450272
N-cyclopropyl-N-(2-methoxyethyl)-1-phenylpropane-1,3-diamine
CID 62780206
N-cyclopropyl-N-(2-methoxyethyl)-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine
CID 114937078
4-N-cyclopropyl-4-N-(2-methoxyethyl)pentane-2,4-diamine
CID 64706170
4-[1-[(4-ethylcyclohexyl)-methylamino]ethyl]aniline
CID 61450845
3-[1-[cyclopropyl(propyl)amino]ethyl]aniline
CID 61262198
2-[cyclopropyl(2-methoxyethyl)amino]-1-(4-propan-2-ylphenyl)ethanol
CID 60970438
1-N-(2-methoxyethyl)-1-N-propan-2-yl-2,3-dihydro-1H-indene-1,5-diamine
CID 82965925
1-(2-bromophenyl)-1-N-cyclopropyl-1-N-(2-methoxyethyl)propane-1,2-diamine
CID 55022689
3-[cyclopropyl-[1-(4-methylphenyl)ethyl]amino]propanoic acid
CID 65054486
1-(4-aminophenyl)-2-[2-methoxyethyl(2-methylpropyl)amino]ethanol
CID 62265758

Frequently Asked Questions

What is the IUPAC name of 4-[1-[cyclopropyl(2-methoxyethyl)amino]ethyl]aniline?
The IUPAC name of 4-[1-[cyclopropyl(2-methoxyethyl)amino]ethyl]aniline (CID 54948492) is 4-[1-[cyclopropyl(2-methoxyethyl)amino]ethyl]aniline.
What is the SMILES notation for 4-[1-[cyclopropyl(2-methoxyethyl)amino]ethyl]aniline?
The canonical SMILES for 4-[1-[cyclopropyl(2-methoxyethyl)amino]ethyl]aniline is COCCN(C1CC1)C(C)c1ccc(N)cc1.
What is the InChIKey of 4-[1-[cyclopropyl(2-methoxyethyl)amino]ethyl]aniline?
The InChIKey is CBLDMEQADNJUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(12-3-5-13(15)6-4-12)16(9-10-17-2)14-7-8-14/h3-6,11,14H,7-10,15H2,1-2H3.
What are the key properties of 4-[1-[cyclopropyl(2-methoxyethyl)amino]ethyl]aniline?
4-[1-[cyclopropyl(2-methoxyethyl)amino]ethyl]aniline has a molecular weight of 234.34 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[cyclopropyl(2-methoxyethyl)amino]ethyl]aniline is sourced from PubChem (CID 54948492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).