2-[4-[(1R)-1-aminoethyl]-N-cyclohexylanilino]ethanol

C16H26N2O — CID 78935648

IUPAC2-[4-[(1R)-1-aminoethyl]-N-cyclohexylanilino]ethanol
SMILESC[C@@H](N)c1ccc(N(CCO)C2CCCCC2)cc1
InChIInChI=1S/C16H26N2O/c1-13(17)14-7-9-16(10-8-14)18(11-12-19)15-5-3-2-4-6-15/h7-10,13,15,19H,2-6,11-12,17H2,1H3/t13-/m1/s1
InChIKeyVCDBBZOYPQXISK-CYBMUJFWSA-N
MW262.40 g/mol
LogP2.84
Rot. Bonds5

About 2-[4-[(1R)-1-aminoethyl]-N-cyclohexylanilino]ethanol

2-[4-[(1R)-1-aminoethyl]-N-cyclohexylanilino]ethanol (PubChem CID 78935648) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[4-[(1R)-1-aminoethyl]-N-cyclohexylanilino]ethanol.

Molecular Properties

Compound Name2-[4-[(1R)-1-aminoethyl]-N-cyclohexylanilino]ethanol
PubChem CID78935648
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-[4-[(1R)-1-aminoethyl]-N-cyclohexylanilino]ethanol
SMILESC[C@@H](N)c1ccc(N(CCO)C2CCCCC2)cc1
InChIInChI=1S/C16H26N2O/c1-13(17)14-7-9-16(10-8-14)18(11-12-19)15-5-3-2-4-6-15/h7-10,13,15,19H,2-6,11-12,17H2,1H3/t13-/m1/s1
InChIKeyVCDBBZOYPQXISK-CYBMUJFWSA-N
XLogP2.84
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

Computed Properties (RDKit)

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

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Related Compounds

2-(1-aminoethyl)-5-[cyclobutyl(2-hydroxyethyl)amino]phenol
CID 102863464
4-[(1R)-1-aminoethyl]-N-cyclopropyl-N-(3-methylbutyl)aniline
CID 78935157
2-[4-[(1R)-1-aminoethyl]-2-chloro-N-cyclopentylanilino]ethanol
CID 63368770
2-[4-(1-aminoethyl)-2-chloro-N-cyclohexylanilino]ethanol
CID 62911690
2-(4-amino-N-cyclobutylanilino)ethanol
CID 102859463
2-[2-[(1R)-1-aminoethyl]-N-cyclobutylanilino]ethanol
CID 102863448
4-(1-aminoethyl)-N-cyclopropyl-N-(2-methylpropyl)aniline
CID 55001779
2-[N-cyclopentyl-4-(methylaminomethyl)anilino]ethanol
CID 54994543
(1R)-1-[5-[cyclopentyl(2-hydroxyethyl)amino]-2-pyridinyl]ethanol
CID 83132145
2-[N-cyclobutyl-4-[(2-methylpropylamino)methyl]anilino]ethanol
CID 102864906
2-[2-[(1R)-1-aminoethyl]-N-cyclopropylanilino]ethanol
CID 78935565
2-[2-[(1S)-1-aminoethyl]-N-cyclopropylanilino]ethanol
CID 63368640

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1R)-1-aminoethyl]-N-cyclohexylanilino]ethanol?
The IUPAC name of 2-[4-[(1R)-1-aminoethyl]-N-cyclohexylanilino]ethanol (CID 78935648) is 2-[4-[(1R)-1-aminoethyl]-N-cyclohexylanilino]ethanol.
What is the SMILES notation for 2-[4-[(1R)-1-aminoethyl]-N-cyclohexylanilino]ethanol?
The canonical SMILES for 2-[4-[(1R)-1-aminoethyl]-N-cyclohexylanilino]ethanol is C[C@@H](N)c1ccc(N(CCO)C2CCCCC2)cc1.
What is the InChIKey of 2-[4-[(1R)-1-aminoethyl]-N-cyclohexylanilino]ethanol?
The InChIKey is VCDBBZOYPQXISK-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13(17)14-7-9-16(10-8-14)18(11-12-19)15-5-3-2-4-6-15/h7-10,13,15,19H,2-6,11-12,17H2,1H3/t13-/m1/s1.
What are the key properties of 2-[4-[(1R)-1-aminoethyl]-N-cyclohexylanilino]ethanol?
2-[4-[(1R)-1-aminoethyl]-N-cyclohexylanilino]ethanol has a molecular weight of 262.40 g/mol, XLogP of 2.84, 5 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-cyclohexylanilino]ethanol is sourced from PubChem (CID 78935648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).