4-[2-[[cyclopropyl(phenyl)methyl]amino]propyl]phenol

C19H23NO — CID 115494135

IUPAC4-[2-[[cyclopropyl(phenyl)methyl]amino]propyl]phenol
SMILESCC(Cc1ccc(O)cc1)NC(c1ccccc1)C1CC1
InChIInChI=1S/C19H23NO/c1-14(13-15-7-11-18(21)12-8-15)20-19(17-9-10-17)16-5-3-2-4-6-16/h2-8,11-12,14,17,19-21H,9-10,13H2,1H3
InChIKeyHMRREOBOUCNLPA-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.06
Rot. Bonds6

About 4-[2-[[cyclopropyl(phenyl)methyl]amino]propyl]phenol

4-[2-[[cyclopropyl(phenyl)methyl]amino]propyl]phenol (PubChem CID 115494135) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-[2-[[cyclopropyl(phenyl)methyl]amino]propyl]phenol.

Molecular Properties

Compound Name4-[2-[[cyclopropyl(phenyl)methyl]amino]propyl]phenol
PubChem CID115494135
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name4-[2-[[cyclopropyl(phenyl)methyl]amino]propyl]phenol
SMILESCC(Cc1ccc(O)cc1)NC(c1ccccc1)C1CC1
InChIInChI=1S/C19H23NO/c1-14(13-15-7-11-18(21)12-8-15)20-19(17-9-10-17)16-5-3-2-4-6-16/h2-8,11-12,14,17,19-21H,9-10,13H2,1H3
InChIKeyHMRREOBOUCNLPA-UHFFFAOYSA-N
XLogP4.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclopropyl(phenyl)methyl]-6,6,6-trifluorohexan-2-amine
CID 116534404
1-cyclopropyl-N-[cyclopropyl(phenyl)methyl]-1-phenylmethanamine
CID 61312190
N-[cyclopropyl(phenyl)methyl]-1-ethylsulfonylpropan-2-amine
CID 115898623
N-[cyclopropyl(phenyl)methyl]-1-(4-ethylphenyl)ethanamine
CID 43724281
4-[[cyclopropyl(phenyl)methyl]amino]phenol
CID 61313766
4-[2-(4-phenylbutan-2-ylamino)propyl]phenol
CID 79692143
4-[1-[[cyclopropyl(phenyl)methyl]amino]ethyl]-3-fluorophenol
CID 107714853
N-[cyclopropyl(phenyl)methyl]-3-ethylpentan-2-amine
CID 63842237
N-[cyclohexyl(phenyl)methyl]pentan-2-amine
CID 43103715
N-[cyclopropyl(phenyl)methyl]-4-methylpent-1-yn-3-amine
CID 114202113
4-[2-(benzylamino)propyl]phenol;hydrobromide
CID 54609236
4-[2-(cyclobutylamino)propyl]phenol
CID 115494316

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[cyclopropyl(phenyl)methyl]amino]propyl]phenol?
The IUPAC name of 4-[2-[[cyclopropyl(phenyl)methyl]amino]propyl]phenol (CID 115494135) is 4-[2-[[cyclopropyl(phenyl)methyl]amino]propyl]phenol.
What is the SMILES notation for 4-[2-[[cyclopropyl(phenyl)methyl]amino]propyl]phenol?
The canonical SMILES for 4-[2-[[cyclopropyl(phenyl)methyl]amino]propyl]phenol is CC(Cc1ccc(O)cc1)NC(c1ccccc1)C1CC1.
What is the InChIKey of 4-[2-[[cyclopropyl(phenyl)methyl]amino]propyl]phenol?
The InChIKey is HMRREOBOUCNLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-14(13-15-7-11-18(21)12-8-15)20-19(17-9-10-17)16-5-3-2-4-6-16/h2-8,11-12,14,17,19-21H,9-10,13H2,1H3.
What are the key properties of 4-[2-[[cyclopropyl(phenyl)methyl]amino]propyl]phenol?
4-[2-[[cyclopropyl(phenyl)methyl]amino]propyl]phenol has a molecular weight of 281.40 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[cyclopropyl(phenyl)methyl]amino]propyl]phenol is sourced from PubChem (CID 115494135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).