2-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]propyl]phenol

C14H21NO2 — CID 63294662

IUPAC2-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]propyl]phenol
SMILESCCC(NCC(O)C1CC1)c1ccccc1O
InChIInChI=1S/C14H21NO2/c1-2-12(11-5-3-4-6-13(11)16)15-9-14(17)10-7-8-10/h3-6,10,12,14-17H,2,7-9H2,1H3
InChIKeyXTWJHCWVZKXXFY-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.20
Rot. Bonds6

About 2-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]propyl]phenol

2-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]propyl]phenol (PubChem CID 63294662) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]propyl]phenol.

Molecular Properties

Compound Name2-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]propyl]phenol
PubChem CID63294662
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]propyl]phenol
SMILESCCC(NCC(O)C1CC1)c1ccccc1O
InChIInChI=1S/C14H21NO2/c1-2-12(11-5-3-4-6-13(11)16)15-9-14(17)10-7-8-10/h3-6,10,12,14-17H,2,7-9H2,1H3
InChIKeyXTWJHCWVZKXXFY-UHFFFAOYSA-N
XLogP2.20
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-(cyclopropylamino)propyl]phenol
CID 16772826
2-[1-(2-bromophenyl)ethylamino]-1-cyclopropylethanol
CID 63294580
2-[1-(3-cyclopentylpropylamino)propyl]phenol
CID 106008970
2-[1-(methylamino)propyl]phenol
CID 12862798
2-[1-[2-(4-methylpiperidin-1-yl)ethylamino]propyl]phenol
CID 61240084
2-[(1S)-1-(cyclopent-3-en-1-ylamino)propyl]phenol
CID 99632914
2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]propyl]phenol
CID 114448733
1-cyclopropyl-2-[[(2-methylphenyl)-phenylmethyl]amino]ethanol
CID 79481070
1-cyclopropyl-2-(pentan-3-ylamino)ethanol
CID 63294536
2-[1-[3-(4-methylpiperidin-1-yl)propylamino]propyl]phenol
CID 43205645
2-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]naphthalen-1-ol
CID 63294313
2-[1-(cyclopentyloxyamino)propyl]phenol
CID 83229678

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]propyl]phenol?
The IUPAC name of 2-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]propyl]phenol (CID 63294662) is 2-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]propyl]phenol.
What is the SMILES notation for 2-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]propyl]phenol?
The canonical SMILES for 2-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]propyl]phenol is CCC(NCC(O)C1CC1)c1ccccc1O.
What is the InChIKey of 2-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]propyl]phenol?
The InChIKey is XTWJHCWVZKXXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-2-12(11-5-3-4-6-13(11)16)15-9-14(17)10-7-8-10/h3-6,10,12,14-17H,2,7-9H2,1H3.
What are the key properties of 2-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]propyl]phenol?
2-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]propyl]phenol has a molecular weight of 235.33 g/mol, XLogP of 2.20, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]propyl]phenol is sourced from PubChem (CID 63294662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).