2-amino-2-cyclopropyl-3-(4-ethyl-N-methylanilino)propan-1-ol

C15H24N2O — CID 64789557

IUPAC2-amino-2-cyclopropyl-3-(4-ethyl-N-methylanilino)propan-1-ol
SMILESCCc1ccc(N(C)CC(N)(CO)C2CC2)cc1
InChIInChI=1S/C15H24N2O/c1-3-12-4-8-14(9-5-12)17(2)10-15(16,11-18)13-6-7-13/h4-5,8-9,13,18H,3,6-7,10-11,16H2,1-2H3
InChIKeyQLSROICYMKJQKI-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.78
Rot. Bonds6

About 2-amino-2-cyclopropyl-3-(4-ethyl-N-methylanilino)propan-1-ol

2-amino-2-cyclopropyl-3-(4-ethyl-N-methylanilino)propan-1-ol (PubChem CID 64789557) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-(4-ethyl-N-methylanilino)propan-1-ol.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-(4-ethyl-N-methylanilino)propan-1-ol
PubChem CID64789557
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-amino-2-cyclopropyl-3-(4-ethyl-N-methylanilino)propan-1-ol
SMILESCCc1ccc(N(C)CC(N)(CO)C2CC2)cc1
InChIInChI=1S/C15H24N2O/c1-3-12-4-8-14(9-5-12)17(2)10-15(16,11-18)13-6-7-13/h4-5,8-9,13,18H,3,6-7,10-11,16H2,1-2H3
InChIKeyQLSROICYMKJQKI-UHFFFAOYSA-N
XLogP1.78
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-(4-ethyl-N-methylanilino)propan-1-ol?
The IUPAC name of 2-amino-2-cyclopropyl-3-(4-ethyl-N-methylanilino)propan-1-ol (CID 64789557) is 2-amino-2-cyclopropyl-3-(4-ethyl-N-methylanilino)propan-1-ol.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-(4-ethyl-N-methylanilino)propan-1-ol?
The canonical SMILES for 2-amino-2-cyclopropyl-3-(4-ethyl-N-methylanilino)propan-1-ol is CCc1ccc(N(C)CC(N)(CO)C2CC2)cc1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-(4-ethyl-N-methylanilino)propan-1-ol?
The InChIKey is QLSROICYMKJQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-12-4-8-14(9-5-12)17(2)10-15(16,11-18)13-6-7-13/h4-5,8-9,13,18H,3,6-7,10-11,16H2,1-2H3.
What are the key properties of 2-amino-2-cyclopropyl-3-(4-ethyl-N-methylanilino)propan-1-ol?
2-amino-2-cyclopropyl-3-(4-ethyl-N-methylanilino)propan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-(4-ethyl-N-methylanilino)propan-1-ol is sourced from PubChem (CID 64789557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).