3-[(3-cyclopropylpropylamino)methyl]phenol

C13H19NO — CID 115639607

IUPAC3-[(3-cyclopropylpropylamino)methyl]phenol
SMILESOc1cccc(CNCCCC2CC2)c1
InChIInChI=1S/C13H19NO/c15-13-5-1-3-12(9-13)10-14-8-2-4-11-6-7-11/h1,3,5,9,11,14-15H,2,4,6-8,10H2
InChIKeyNIYGEWCFKCATQD-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.67
Rot. Bonds6

About 3-[(3-cyclopropylpropylamino)methyl]phenol

3-[(3-cyclopropylpropylamino)methyl]phenol (PubChem CID 115639607) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-[(3-cyclopropylpropylamino)methyl]phenol.

Molecular Properties

Compound Name3-[(3-cyclopropylpropylamino)methyl]phenol
PubChem CID115639607
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-[(3-cyclopropylpropylamino)methyl]phenol
SMILESOc1cccc(CNCCCC2CC2)c1
InChIInChI=1S/C13H19NO/c15-13-5-1-3-12(9-13)10-14-8-2-4-11-6-7-11/h1,3,5,9,11,14-15H,2,4,6-8,10H2
InChIKeyNIYGEWCFKCATQD-UHFFFAOYSA-N
XLogP2.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(2-cyclohexylethylamino)methyl]phenol
CID 60752412
N-benzyl-4-cyclopropylbutan-1-amine
CID 165438994
3-[[(5-hydroxy-5-methylhexyl)amino]methyl]phenol
CID 23439773
3-[(4-methylpentylamino)methyl]phenol
CID 60744251
3-(propylaminomethyl)phenol
CID 10725714
3-[[3-(2-chloroethoxy)propylamino]methyl]phenol
CID 106306226
2-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide
CID 61150791
3-[(4-methylsulfanylbutylamino)methyl]phenol
CID 115639371
3-[[(4-propylcyclohexyl)amino]methyl]phenol
CID 54962735
3-[[2-(ethylamino)ethylamino]methyl]phenol
CID 83962894
3-[3-(benzylamino)propoxymethyl]phenol
CID 114782855
3-[(oxolan-3-ylmethylamino)methyl]phenol
CID 60920792

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclopropylpropylamino)methyl]phenol?
The IUPAC name of 3-[(3-cyclopropylpropylamino)methyl]phenol (CID 115639607) is 3-[(3-cyclopropylpropylamino)methyl]phenol.
What is the SMILES notation for 3-[(3-cyclopropylpropylamino)methyl]phenol?
The canonical SMILES for 3-[(3-cyclopropylpropylamino)methyl]phenol is Oc1cccc(CNCCCC2CC2)c1.
What is the InChIKey of 3-[(3-cyclopropylpropylamino)methyl]phenol?
The InChIKey is NIYGEWCFKCATQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c15-13-5-1-3-12(9-13)10-14-8-2-4-11-6-7-11/h1,3,5,9,11,14-15H,2,4,6-8,10H2.
What are the key properties of 3-[(3-cyclopropylpropylamino)methyl]phenol?
3-[(3-cyclopropylpropylamino)methyl]phenol has a molecular weight of 205.30 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclopropylpropylamino)methyl]phenol is sourced from PubChem (CID 115639607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).