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

C16H17NO — CID 61313766

IUPAC4-[[cyclopropyl(phenyl)methyl]amino]phenol
SMILESOc1ccc(NC(c2ccccc2)C2CC2)cc1
InChIInChI=1S/C16H17NO/c18-15-10-8-14(9-11-15)17-16(13-6-7-13)12-4-2-1-3-5-12/h1-5,8-11,13,16-18H,6-7H2
InChIKeyFESWZJNOEBRKNO-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.96
Rot. Bonds4

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

4-[[cyclopropyl(phenyl)methyl]amino]phenol (PubChem CID 61313766) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-[[cyclopropyl(phenyl)methyl]amino]phenol.

Molecular Properties

Compound Name4-[[cyclopropyl(phenyl)methyl]amino]phenol
PubChem CID61313766
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name4-[[cyclopropyl(phenyl)methyl]amino]phenol
SMILESOc1ccc(NC(c2ccccc2)C2CC2)cc1
InChIInChI=1S/C16H17NO/c18-15-10-8-14(9-11-15)17-16(13-6-7-13)12-4-2-1-3-5-12/h1-5,8-11,13,16-18H,6-7H2
InChIKeyFESWZJNOEBRKNO-UHFFFAOYSA-N
XLogP3.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[cyclopropyl(phenyl)methyl]aniline
CID 63422798
4-[[cyclopropyl(phenyl)methyl]amino]benzenesulfonamide
CID 61313949
2-[4-[[cyclopropyl(phenyl)methyl]amino]phenyl]acetamide
CID 61312189
3,5-dichloro-N-[cyclopropyl(phenyl)methyl]aniline
CID 63422408
1-cyclopropyl-N-[cyclopropyl(phenyl)methyl]-1-phenylmethanamine
CID 61312190
N-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline
CID 43763011
3,5-dichloro-N-[cyclopropyl(phenyl)methyl]-4-fluoroaniline
CID 107572890
2-chloro-5-[[cyclopropyl(phenyl)methyl]amino]benzamide
CID 61314159
4-[2-[[cyclopropyl(phenyl)methyl]amino]propyl]phenol
CID 115494135
3-[[cyclopropyl(phenyl)methyl]amino]benzamide
CID 61313756
N-[cyclopropyl(phenyl)methyl]-1-benzothiophen-5-amine
CID 63434078
[cyclopropyl(phenyl)methyl]hydrazine
CID 53403097

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl(phenyl)methyl]amino]phenol?
The IUPAC name of 4-[[cyclopropyl(phenyl)methyl]amino]phenol (CID 61313766) is 4-[[cyclopropyl(phenyl)methyl]amino]phenol.
What is the SMILES notation for 4-[[cyclopropyl(phenyl)methyl]amino]phenol?
The canonical SMILES for 4-[[cyclopropyl(phenyl)methyl]amino]phenol is Oc1ccc(NC(c2ccccc2)C2CC2)cc1.
What is the InChIKey of 4-[[cyclopropyl(phenyl)methyl]amino]phenol?
The InChIKey is FESWZJNOEBRKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c18-15-10-8-14(9-11-15)17-16(13-6-7-13)12-4-2-1-3-5-12/h1-5,8-11,13,16-18H,6-7H2.
What are the key properties of 4-[[cyclopropyl(phenyl)methyl]amino]phenol?
4-[[cyclopropyl(phenyl)methyl]amino]phenol has a molecular weight of 239.32 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl(phenyl)methyl]amino]phenol is sourced from PubChem (CID 61313766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).