3-[[2-amino-1-(2-cyclopropylphenyl)ethyl]amino]butan-1-ol

C15H24N2O — CID 83177751

IUPAC3-[[2-amino-1-(2-cyclopropylphenyl)ethyl]amino]butan-1-ol
SMILESCC(CCO)NC(CN)c1ccccc1C1CC1
InChIInChI=1S/C15H24N2O/c1-11(8-9-18)17-15(10-16)14-5-3-2-4-13(14)12-6-7-12/h2-5,11-12,15,17-18H,6-10,16H2,1H3
InChIKeyKSUCLQDIBMHCMF-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.92
Rot. Bonds7

About 3-[[2-amino-1-(2-cyclopropylphenyl)ethyl]amino]butan-1-ol

3-[[2-amino-1-(2-cyclopropylphenyl)ethyl]amino]butan-1-ol (PubChem CID 83177751) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-[[2-amino-1-(2-cyclopropylphenyl)ethyl]amino]butan-1-ol.

Molecular Properties

Compound Name3-[[2-amino-1-(2-cyclopropylphenyl)ethyl]amino]butan-1-ol
PubChem CID83177751
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-[[2-amino-1-(2-cyclopropylphenyl)ethyl]amino]butan-1-ol
SMILESCC(CCO)NC(CN)c1ccccc1C1CC1
InChIInChI=1S/C15H24N2O/c1-11(8-9-18)17-15(10-16)14-5-3-2-4-13(14)12-6-7-12/h2-5,11-12,15,17-18H,6-10,16H2,1H3
InChIKeyKSUCLQDIBMHCMF-UHFFFAOYSA-N
XLogP1.92
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-1-(2-cyclopropylphenyl)ethyl]amino]butan-1-ol?
The IUPAC name of 3-[[2-amino-1-(2-cyclopropylphenyl)ethyl]amino]butan-1-ol (CID 83177751) is 3-[[2-amino-1-(2-cyclopropylphenyl)ethyl]amino]butan-1-ol.
What is the SMILES notation for 3-[[2-amino-1-(2-cyclopropylphenyl)ethyl]amino]butan-1-ol?
The canonical SMILES for 3-[[2-amino-1-(2-cyclopropylphenyl)ethyl]amino]butan-1-ol is CC(CCO)NC(CN)c1ccccc1C1CC1.
What is the InChIKey of 3-[[2-amino-1-(2-cyclopropylphenyl)ethyl]amino]butan-1-ol?
The InChIKey is KSUCLQDIBMHCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11(8-9-18)17-15(10-16)14-5-3-2-4-13(14)12-6-7-12/h2-5,11-12,15,17-18H,6-10,16H2,1H3.
What are the key properties of 3-[[2-amino-1-(2-cyclopropylphenyl)ethyl]amino]butan-1-ol?
3-[[2-amino-1-(2-cyclopropylphenyl)ethyl]amino]butan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 1.92, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-amino-1-(2-cyclopropylphenyl)ethyl]amino]butan-1-ol is sourced from PubChem (CID 83177751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).