2-[1-[(1-propylcyclopropyl)methylamino]ethyl]phenol

C15H23NO — CID 113383829

IUPAC2-[1-[(1-propylcyclopropyl)methylamino]ethyl]phenol
SMILESCCCC1(CNC(C)c2ccccc2O)CC1
InChIInChI=1S/C15H23NO/c1-3-8-15(9-10-15)11-16-12(2)13-6-4-5-7-14(13)17/h4-7,12,16-17H,3,8-11H2,1-2H3
InChIKeyQIESULUFJULBGY-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.62
Rot. Bonds6

About 2-[1-[(1-propylcyclopropyl)methylamino]ethyl]phenol

2-[1-[(1-propylcyclopropyl)methylamino]ethyl]phenol (PubChem CID 113383829) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-[1-[(1-propylcyclopropyl)methylamino]ethyl]phenol.

Molecular Properties

Compound Name2-[1-[(1-propylcyclopropyl)methylamino]ethyl]phenol
PubChem CID113383829
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name2-[1-[(1-propylcyclopropyl)methylamino]ethyl]phenol
SMILESCCCC1(CNC(C)c2ccccc2O)CC1
InChIInChI=1S/C15H23NO/c1-3-8-15(9-10-15)11-16-12(2)13-6-4-5-7-14(13)17/h4-7,12,16-17H,3,8-11H2,1-2H3
InChIKeyQIESULUFJULBGY-UHFFFAOYSA-N
XLogP3.62
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S)-1-[[1-[[[(1S)-1-(2-hydroxyphenyl)ethyl]amino]methyl]cyclopropyl]methylamino]ethyl]phenol
CID 71049425
1-(2,5-dichlorophenyl)-N-[(1-propylcyclopropyl)methyl]ethanamine
CID 114099692
2-[1-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]ethyl]naphthalen-1-ol
CID 114750513
2-[1-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethyl]phenol
CID 65116717
3-[[1-(2-hydroxyphenyl)ethylamino]methyl]oxolan-3-ol
CID 113383834
2-[1-[[1-(2-methoxyethyl)cyclopropyl]methylamino]ethyl]-5-methylphenol
CID 104583457
5-methoxy-2-[1-[[1-(2-methoxyethyl)cyclopropyl]methylamino]ethyl]phenol
CID 104583453
4-[2-[(1-propylcyclopropyl)methylamino]propyl]phenol
CID 114099628
3-[1-[(1-propylcyclopropyl)methylamino]ethyl]benzenesulfonamide
CID 103911381
1-(furan-2-yl)-N-[(1-propylcyclobutyl)methyl]ethanamine
CID 115893829
[1-[[1-[2-(difluoromethoxy)phenyl]ethylamino]methyl]cyclopropyl]methanol
CID 81344008
[1-[[1-(2-chlorophenyl)ethylamino]methyl]cyclohexyl]methanol
CID 79985726

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-propylcyclopropyl)methylamino]ethyl]phenol?
The IUPAC name of 2-[1-[(1-propylcyclopropyl)methylamino]ethyl]phenol (CID 113383829) is 2-[1-[(1-propylcyclopropyl)methylamino]ethyl]phenol.
What is the SMILES notation for 2-[1-[(1-propylcyclopropyl)methylamino]ethyl]phenol?
The canonical SMILES for 2-[1-[(1-propylcyclopropyl)methylamino]ethyl]phenol is CCCC1(CNC(C)c2ccccc2O)CC1.
What is the InChIKey of 2-[1-[(1-propylcyclopropyl)methylamino]ethyl]phenol?
The InChIKey is QIESULUFJULBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-8-15(9-10-15)11-16-12(2)13-6-4-5-7-14(13)17/h4-7,12,16-17H,3,8-11H2,1-2H3.
What are the key properties of 2-[1-[(1-propylcyclopropyl)methylamino]ethyl]phenol?
2-[1-[(1-propylcyclopropyl)methylamino]ethyl]phenol has a molecular weight of 233.36 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-propylcyclopropyl)methylamino]ethyl]phenol is sourced from PubChem (CID 113383829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).