2-(2-cyclopropylethoxy)-N-ethyl-1-[4-(2-methylpropyl)phenyl]ethanamine

C19H31NO — CID 106200742

IUPAC2-(2-cyclopropylethoxy)-N-ethyl-1-[4-(2-methylpropyl)phenyl]ethanamine
SMILESCCNC(COCCC1CC1)c1ccc(CC(C)C)cc1
InChIInChI=1S/C19H31NO/c1-4-20-19(14-21-12-11-16-5-6-16)18-9-7-17(8-10-18)13-15(2)3/h7-10,15-16,19-20H,4-6,11-14H2,1-3H3
InChIKeyOBMPNZZKNSRTSB-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.35
Rot. Bonds10

About 2-(2-cyclopropylethoxy)-N-ethyl-1-[4-(2-methylpropyl)phenyl]ethanamine

2-(2-cyclopropylethoxy)-N-ethyl-1-[4-(2-methylpropyl)phenyl]ethanamine (PubChem CID 106200742) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-(2-cyclopropylethoxy)-N-ethyl-1-[4-(2-methylpropyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-(2-cyclopropylethoxy)-N-ethyl-1-[4-(2-methylpropyl)phenyl]ethanamine
PubChem CID106200742
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2-(2-cyclopropylethoxy)-N-ethyl-1-[4-(2-methylpropyl)phenyl]ethanamine
SMILESCCNC(COCCC1CC1)c1ccc(CC(C)C)cc1
InChIInChI=1S/C19H31NO/c1-4-20-19(14-21-12-11-16-5-6-16)18-9-7-17(8-10-18)13-15(2)3/h7-10,15-16,19-20H,4-6,11-14H2,1-3H3
InChIKeyOBMPNZZKNSRTSB-UHFFFAOYSA-N
XLogP4.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-cyclobutylethoxy)-N-ethyl-1-(4-ethylphenyl)ethanamine
CID 106200984
2-(2-cyclopropylethoxy)-N-ethyl-1-phenylethanamine
CID 106200509
N-ethyl-2-(2-methylpropoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 63474019
N-[2-(2-cyclopropylethoxy)-1-(4-ethylphenyl)ethyl]propan-1-amine
CID 106200712
2-(2-cyclopropylethoxy)-N-ethyl-1-naphthalen-2-ylethanamine
CID 106200656
2-(2-cyclobutylethoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 106200916
N-ethyl-2-(3-methylbutoxy)-1-(4-propan-2-ylphenyl)ethanamine
CID 63473833
N-ethyl-2-hexoxy-1-(4-propylphenyl)ethanamine
CID 63475832
2-(2-cyclobutylethoxy)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 106201119
N-ethyl-1-[3-(2-methylpropyl)phenyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216427
2-cyclobutyloxy-N-ethyl-1-(4-propylphenyl)ethanamine
CID 62116839
2-(3,3-dimethylbutoxy)-N-ethyl-1-(4-methylphenyl)ethanamine
CID 66233587

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylethoxy)-N-ethyl-1-[4-(2-methylpropyl)phenyl]ethanamine?
The IUPAC name of 2-(2-cyclopropylethoxy)-N-ethyl-1-[4-(2-methylpropyl)phenyl]ethanamine (CID 106200742) is 2-(2-cyclopropylethoxy)-N-ethyl-1-[4-(2-methylpropyl)phenyl]ethanamine.
What is the SMILES notation for 2-(2-cyclopropylethoxy)-N-ethyl-1-[4-(2-methylpropyl)phenyl]ethanamine?
The canonical SMILES for 2-(2-cyclopropylethoxy)-N-ethyl-1-[4-(2-methylpropyl)phenyl]ethanamine is CCNC(COCCC1CC1)c1ccc(CC(C)C)cc1.
What is the InChIKey of 2-(2-cyclopropylethoxy)-N-ethyl-1-[4-(2-methylpropyl)phenyl]ethanamine?
The InChIKey is OBMPNZZKNSRTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-4-20-19(14-21-12-11-16-5-6-16)18-9-7-17(8-10-18)13-15(2)3/h7-10,15-16,19-20H,4-6,11-14H2,1-3H3.
What are the key properties of 2-(2-cyclopropylethoxy)-N-ethyl-1-[4-(2-methylpropyl)phenyl]ethanamine?
2-(2-cyclopropylethoxy)-N-ethyl-1-[4-(2-methylpropyl)phenyl]ethanamine has a molecular weight of 289.46 g/mol, XLogP of 4.35, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylethoxy)-N-ethyl-1-[4-(2-methylpropyl)phenyl]ethanamine is sourced from PubChem (CID 106200742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).