2-[(1-cyclopropylpropan-2-ylamino)methyl]phenol

C13H19NO — CID 63988689

IUPAC2-[(1-cyclopropylpropan-2-ylamino)methyl]phenol
SMILESCC(CC1CC1)NCc1ccccc1O
InChIInChI=1S/C13H19NO/c1-10(8-11-6-7-11)14-9-12-4-2-3-5-13(12)15/h2-5,10-11,14-15H,6-9H2,1H3
InChIKeyWFGPBBGJMUBXRG-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.67
Rot. Bonds5

About 2-[(1-cyclopropylpropan-2-ylamino)methyl]phenol

2-[(1-cyclopropylpropan-2-ylamino)methyl]phenol (PubChem CID 63988689) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-[(1-cyclopropylpropan-2-ylamino)methyl]phenol.

Molecular Properties

Compound Name2-[(1-cyclopropylpropan-2-ylamino)methyl]phenol
PubChem CID63988689
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-[(1-cyclopropylpropan-2-ylamino)methyl]phenol
SMILESCC(CC1CC1)NCc1ccccc1O
InChIInChI=1S/C13H19NO/c1-10(8-11-6-7-11)14-9-12-4-2-3-5-13(12)15/h2-5,10-11,14-15H,6-9H2,1H3
InChIKeyWFGPBBGJMUBXRG-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
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

4-[(1-cyclopropylpropan-2-ylamino)methyl]benzene-1,3-diol
CID 63989718
1-cyclopropyl-N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 63990355
N-[2-[(1-cyclopropylpropan-2-ylamino)methyl]phenyl]acetamide
CID 66418079
2-[[[(1S)-1-cyclopentylethyl]amino]methyl]phenol
CID 81386738
2-[(1-cyclohexylpropan-2-ylamino)methyl]-N,N-dimethylaniline
CID 69154711
1-cyclohexyl-N-[[2-(cyclopropylmethoxy)phenyl]methyl]propan-2-amine
CID 146001154
N-benzyl-1-cyclopentylpropan-2-amine
CID 71379591
N-[(5-chloro-2-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine
CID 115762374
N-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]formamide
CID 89312516
4-[(1-cyclopropylpropan-2-ylamino)methyl]-2-fluorophenol
CID 115722404
3-[(1-cyclopropylpropan-2-ylamino)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107116955
1-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]-3-propan-2-ylthiourea
CID 87633689

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopropylpropan-2-ylamino)methyl]phenol?
The IUPAC name of 2-[(1-cyclopropylpropan-2-ylamino)methyl]phenol (CID 63988689) is 2-[(1-cyclopropylpropan-2-ylamino)methyl]phenol.
What is the SMILES notation for 2-[(1-cyclopropylpropan-2-ylamino)methyl]phenol?
The canonical SMILES for 2-[(1-cyclopropylpropan-2-ylamino)methyl]phenol is CC(CC1CC1)NCc1ccccc1O.
What is the InChIKey of 2-[(1-cyclopropylpropan-2-ylamino)methyl]phenol?
The InChIKey is WFGPBBGJMUBXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10(8-11-6-7-11)14-9-12-4-2-3-5-13(12)15/h2-5,10-11,14-15H,6-9H2,1H3.
What are the key properties of 2-[(1-cyclopropylpropan-2-ylamino)methyl]phenol?
2-[(1-cyclopropylpropan-2-ylamino)methyl]phenol has a molecular weight of 205.30 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopropylpropan-2-ylamino)methyl]phenol is sourced from PubChem (CID 63988689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).