2-[2-[(1R)-1-aminopropyl]-N-cyclopentylanilino]ethanol

C16H26N2O — CID 103958723

IUPAC2-[2-[(1R)-1-aminopropyl]-N-cyclopentylanilino]ethanol
SMILESCC[C@@H](N)c1ccccc1N(CCO)C1CCCC1
InChIInChI=1S/C16H26N2O/c1-2-15(17)14-9-5-6-10-16(14)18(11-12-19)13-7-3-4-8-13/h5-6,9-10,13,15,19H,2-4,7-8,11-12,17H2,1H3/t15-/m1/s1
InChIKeyURGPKPZDFFMZIP-OAHLLOKOSA-N
MW262.40 g/mol
LogP2.84
Rot. Bonds6

About 2-[2-[(1R)-1-aminopropyl]-N-cyclopentylanilino]ethanol

2-[2-[(1R)-1-aminopropyl]-N-cyclopentylanilino]ethanol (PubChem CID 103958723) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[2-[(1R)-1-aminopropyl]-N-cyclopentylanilino]ethanol.

Molecular Properties

Compound Name2-[2-[(1R)-1-aminopropyl]-N-cyclopentylanilino]ethanol
PubChem CID103958723
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-[2-[(1R)-1-aminopropyl]-N-cyclopentylanilino]ethanol
SMILESCC[C@@H](N)c1ccccc1N(CCO)C1CCCC1
InChIInChI=1S/C16H26N2O/c1-2-15(17)14-9-5-6-10-16(14)18(11-12-19)13-7-3-4-8-13/h5-6,9-10,13,15,19H,2-4,7-8,11-12,17H2,1H3/t15-/m1/s1
InChIKeyURGPKPZDFFMZIP-OAHLLOKOSA-N
XLogP2.84
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(1-aminopropyl)-N-cyclohexylanilino]ethanol
CID 115995044
2-[(1R)-1-aminopropyl]-N-cyclopentyl-N-ethylaniline
CID 103958535
2-[2-[(1R)-1-aminoethyl]-N-cyclobutylanilino]ethanol
CID 102863448
2-[2-[(1R)-1-aminoethyl]-N-cyclopropylanilino]ethanol
CID 78935565
2-[2-[(1S)-1-aminoethyl]-N-cyclopropylanilino]ethanol
CID 63368640
2-(1-aminopropyl)-N-cyclopropyl-N-(3-methylbutyl)aniline
CID 112678059
1-[2-[cyclobutyl(3-hydroxypropyl)amino]phenyl]propan-1-ol
CID 102864135
2-[N-cyclopropyl-2-[1-(methylamino)propyl]anilino]ethanol
CID 112678034
2-[2-(1-aminopropyl)-N-ethylanilino]ethanol
CID 112677936
2-[N-cyclohexyl-2-(hydroxymethyl)anilino]ethanol
CID 54994680
2-[(1R)-1-aminopropyl]-N-methyl-N-(3-methylcyclohexyl)aniline
CID 103958672
2-[(1S)-1-aminopropyl]-N-(cyclohexylmethyl)-N-methylaniline
CID 103958669

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1R)-1-aminopropyl]-N-cyclopentylanilino]ethanol?
The IUPAC name of 2-[2-[(1R)-1-aminopropyl]-N-cyclopentylanilino]ethanol (CID 103958723) is 2-[2-[(1R)-1-aminopropyl]-N-cyclopentylanilino]ethanol.
What is the SMILES notation for 2-[2-[(1R)-1-aminopropyl]-N-cyclopentylanilino]ethanol?
The canonical SMILES for 2-[2-[(1R)-1-aminopropyl]-N-cyclopentylanilino]ethanol is CC[C@@H](N)c1ccccc1N(CCO)C1CCCC1.
What is the InChIKey of 2-[2-[(1R)-1-aminopropyl]-N-cyclopentylanilino]ethanol?
The InChIKey is URGPKPZDFFMZIP-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H26N2O/c1-2-15(17)14-9-5-6-10-16(14)18(11-12-19)13-7-3-4-8-13/h5-6,9-10,13,15,19H,2-4,7-8,11-12,17H2,1H3/t15-/m1/s1.
What are the key properties of 2-[2-[(1R)-1-aminopropyl]-N-cyclopentylanilino]ethanol?
2-[2-[(1R)-1-aminopropyl]-N-cyclopentylanilino]ethanol has a molecular weight of 262.40 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1R)-1-aminopropyl]-N-cyclopentylanilino]ethanol is sourced from PubChem (CID 103958723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).