2-[4-[(1R)-1-aminoethyl]-N-pentan-3-ylanilino]ethanol

C15H26N2O — CID 55188530

IUPAC2-[4-[(1R)-1-aminoethyl]-N-pentan-3-ylanilino]ethanol
SMILESCCC(CC)N(CCO)c1ccc([C@@H](C)N)cc1
InChIInChI=1S/C15H26N2O/c1-4-14(5-2)17(10-11-18)15-8-6-13(7-9-15)12(3)16/h6-9,12,14,18H,4-5,10-11,16H2,1-3H3/t12-/m1/s1
InChIKeyAWAKORMPMBUXHF-GFCCVEGCSA-N
MW250.39 g/mol
LogP2.69
Rot. Bonds7

About 2-[4-[(1R)-1-aminoethyl]-N-pentan-3-ylanilino]ethanol

2-[4-[(1R)-1-aminoethyl]-N-pentan-3-ylanilino]ethanol (PubChem CID 55188530) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-[4-[(1R)-1-aminoethyl]-N-pentan-3-ylanilino]ethanol.

Molecular Properties

Compound Name2-[4-[(1R)-1-aminoethyl]-N-pentan-3-ylanilino]ethanol
PubChem CID55188530
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-[4-[(1R)-1-aminoethyl]-N-pentan-3-ylanilino]ethanol
SMILESCCC(CC)N(CCO)c1ccc([C@@H](C)N)cc1
InChIInChI=1S/C15H26N2O/c1-4-14(5-2)17(10-11-18)15-8-6-13(7-9-15)12(3)16/h6-9,12,14,18H,4-5,10-11,16H2,1-3H3/t12-/m1/s1
InChIKeyAWAKORMPMBUXHF-GFCCVEGCSA-N
XLogP2.69
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.69
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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Related Compounds

4-[(1S)-1-aminoethyl]-N-(2-methoxyethyl)-N-pentan-3-ylaniline
CID 78935497
4-[(1S)-1-aminoethyl]-N-butan-2-yl-N-ethylaniline
CID 63368258
2-[4-(1-aminoethyl)-N-methylanilino]propan-1-ol
CID 104552414
4-(1-aminoethyl)-N-butan-2-yl-N-butylaniline
CID 55005473
4-[(1R)-1-aminoethyl]-N-ethyl-N-propan-2-ylaniline
CID 78936154
3-[4-[(1R)-1-aminoethyl]-N-ethylanilino]propan-1-ol
CID 104861799
2-[4-[(1R)-1-aminoethyl]-N-cyclohexylanilino]ethanol
CID 78935648
4-[(1R)-1-aminoethyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline
CID 103955055
2-fluoro-4-[2-hydroxyethyl(pentan-3-yl)amino]benzenecarbothioamide
CID 115368138
2-(4-amino-N-propan-2-ylanilino)ethanol
CID 18793769
4-(1-aminoethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline
CID 55005527
2-(3-amino-4-nitro-N-pentan-3-ylanilino)ethanol
CID 106751588

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1R)-1-aminoethyl]-N-pentan-3-ylanilino]ethanol?
The IUPAC name of 2-[4-[(1R)-1-aminoethyl]-N-pentan-3-ylanilino]ethanol (CID 55188530) is 2-[4-[(1R)-1-aminoethyl]-N-pentan-3-ylanilino]ethanol.
What is the SMILES notation for 2-[4-[(1R)-1-aminoethyl]-N-pentan-3-ylanilino]ethanol?
The canonical SMILES for 2-[4-[(1R)-1-aminoethyl]-N-pentan-3-ylanilino]ethanol is CCC(CC)N(CCO)c1ccc([C@@H](C)N)cc1.
What is the InChIKey of 2-[4-[(1R)-1-aminoethyl]-N-pentan-3-ylanilino]ethanol?
The InChIKey is AWAKORMPMBUXHF-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-14(5-2)17(10-11-18)15-8-6-13(7-9-15)12(3)16/h6-9,12,14,18H,4-5,10-11,16H2,1-3H3/t12-/m1/s1.
What are the key properties of 2-[4-[(1R)-1-aminoethyl]-N-pentan-3-ylanilino]ethanol?
2-[4-[(1R)-1-aminoethyl]-N-pentan-3-ylanilino]ethanol has a molecular weight of 250.39 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1R)-1-aminoethyl]-N-pentan-3-ylanilino]ethanol is sourced from PubChem (CID 55188530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).