3-[(2-cyclopropylpropylamino)methyl]phenol

C13H19NO — CID 115592725

IUPAC3-[(2-cyclopropylpropylamino)methyl]phenol
SMILESCC(CNCc1cccc(O)c1)C1CC1
InChIInChI=1S/C13H19NO/c1-10(12-5-6-12)8-14-9-11-3-2-4-13(15)7-11/h2-4,7,10,12,14-15H,5-6,8-9H2,1H3
InChIKeyQXPJFIVCLLYNSR-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.53
Rot. Bonds5

About 3-[(2-cyclopropylpropylamino)methyl]phenol

3-[(2-cyclopropylpropylamino)methyl]phenol (PubChem CID 115592725) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-[(2-cyclopropylpropylamino)methyl]phenol.

Molecular Properties

Compound Name3-[(2-cyclopropylpropylamino)methyl]phenol
PubChem CID115592725
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-[(2-cyclopropylpropylamino)methyl]phenol
SMILESCC(CNCc1cccc(O)c1)C1CC1
InChIInChI=1S/C13H19NO/c1-10(12-5-6-12)8-14-9-11-3-2-4-13(15)7-11/h2-4,7,10,12,14-15H,5-6,8-9H2,1H3
InChIKeyQXPJFIVCLLYNSR-UHFFFAOYSA-N
XLogP2.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyclopropylpropyl)-2-(3-hydroxyphenyl)acetamide
CID 115603624
3-[(2-methylbutylamino)methyl]phenol
CID 62694321
3-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]phenol
CID 103648398
3-[(2-methylpentylamino)methyl]phenol
CID 115905193
2-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 115592709
3-[(4-methylpentylamino)methyl]phenol
CID 60744251
3-(propylaminomethyl)phenol
CID 10725714
3-[(3-cyclopropylpropylamino)methyl]phenol
CID 115639607
2-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide
CID 61150791
2-hydroxy-3-[(3-hydroxyphenyl)methylamino]propanamide
CID 106170564
propane;3-[(propan-2-ylamino)methyl]phenol
CID 143074534
3-[[2-(ethylamino)ethylamino]methyl]phenol
CID 83962894

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclopropylpropylamino)methyl]phenol?
The IUPAC name of 3-[(2-cyclopropylpropylamino)methyl]phenol (CID 115592725) is 3-[(2-cyclopropylpropylamino)methyl]phenol.
What is the SMILES notation for 3-[(2-cyclopropylpropylamino)methyl]phenol?
The canonical SMILES for 3-[(2-cyclopropylpropylamino)methyl]phenol is CC(CNCc1cccc(O)c1)C1CC1.
What is the InChIKey of 3-[(2-cyclopropylpropylamino)methyl]phenol?
The InChIKey is QXPJFIVCLLYNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10(12-5-6-12)8-14-9-11-3-2-4-13(15)7-11/h2-4,7,10,12,14-15H,5-6,8-9H2,1H3.
What are the key properties of 3-[(2-cyclopropylpropylamino)methyl]phenol?
3-[(2-cyclopropylpropylamino)methyl]phenol has a molecular weight of 205.30 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopropylpropylamino)methyl]phenol is sourced from PubChem (CID 115592725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).