2-[2-[(1R)-1-aminoethyl]-N-cyclobutylanilino]ethanol

C14H22N2O — CID 102863448

IUPAC2-[2-[(1R)-1-aminoethyl]-N-cyclobutylanilino]ethanol
SMILESC[C@@H](N)c1ccccc1N(CCO)C1CCC1
InChIInChI=1S/C14H22N2O/c1-11(15)13-7-2-3-8-14(13)16(9-10-17)12-5-4-6-12/h2-3,7-8,11-12,17H,4-6,9-10,15H2,1H3/t11-/m1/s1
InChIKeyKMXFKOUVCLMSPK-LLVKDONJSA-N
MW234.34 g/mol
LogP2.06
Rot. Bonds5

About 2-[2-[(1R)-1-aminoethyl]-N-cyclobutylanilino]ethanol

2-[2-[(1R)-1-aminoethyl]-N-cyclobutylanilino]ethanol (PubChem CID 102863448) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[2-[(1R)-1-aminoethyl]-N-cyclobutylanilino]ethanol.

Molecular Properties

Compound Name2-[2-[(1R)-1-aminoethyl]-N-cyclobutylanilino]ethanol
PubChem CID102863448
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-[2-[(1R)-1-aminoethyl]-N-cyclobutylanilino]ethanol
SMILESC[C@@H](N)c1ccccc1N(CCO)C1CCC1
InChIInChI=1S/C14H22N2O/c1-11(15)13-7-2-3-8-14(13)16(9-10-17)12-5-4-6-12/h2-3,7-8,11-12,17H,4-6,9-10,15H2,1H3/t11-/m1/s1
InChIKeyKMXFKOUVCLMSPK-LLVKDONJSA-N
XLogP2.06
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(1R)-1-aminoethyl]-N-cyclopropylanilino]ethanol
CID 78935565
2-[2-[(1S)-1-aminoethyl]-N-cyclopropylanilino]ethanol
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2-[2-(1-aminopropyl)-N-cyclohexylanilino]ethanol
CID 115995044
2-[2-[(1R)-1-aminopropyl]-N-cyclopentylanilino]ethanol
CID 103958723
2-(1-aminoethyl)-N-cyclopropyl-N-(3-methylbutyl)aniline
CID 78974160
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CID 78935268
2-[2-[(1R)-1-aminoethyl]-N-cyclobutyl-4-fluoro-5-methylanilino]ethanol
CID 102863551
2-[2-(1-aminoethyl)-N-cyclobutyl-4-fluoro-5-methylanilino]ethanol
CID 102863487
2-[4-[(1R)-1-aminoethyl]-N-cyclohexylanilino]ethanol
CID 78935648
N-[2-[(1S)-1-aminoethyl]phenyl]-N-methylcycloheptanamine
CID 55190297
1-[2-[cyclobutyl(3-hydroxypropyl)amino]phenyl]propan-1-ol
CID 102864135
2-[4-(1-aminoethyl)-2-chloro-N-cyclohexylanilino]ethanol
CID 62911690

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1R)-1-aminoethyl]-N-cyclobutylanilino]ethanol?
The IUPAC name of 2-[2-[(1R)-1-aminoethyl]-N-cyclobutylanilino]ethanol (CID 102863448) is 2-[2-[(1R)-1-aminoethyl]-N-cyclobutylanilino]ethanol.
What is the SMILES notation for 2-[2-[(1R)-1-aminoethyl]-N-cyclobutylanilino]ethanol?
The canonical SMILES for 2-[2-[(1R)-1-aminoethyl]-N-cyclobutylanilino]ethanol is C[C@@H](N)c1ccccc1N(CCO)C1CCC1.
What is the InChIKey of 2-[2-[(1R)-1-aminoethyl]-N-cyclobutylanilino]ethanol?
The InChIKey is KMXFKOUVCLMSPK-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(15)13-7-2-3-8-14(13)16(9-10-17)12-5-4-6-12/h2-3,7-8,11-12,17H,4-6,9-10,15H2,1H3/t11-/m1/s1.
What are the key properties of 2-[2-[(1R)-1-aminoethyl]-N-cyclobutylanilino]ethanol?
2-[2-[(1R)-1-aminoethyl]-N-cyclobutylanilino]ethanol has a molecular weight of 234.34 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1R)-1-aminoethyl]-N-cyclobutylanilino]ethanol is sourced from PubChem (CID 102863448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).