3-(1-aminocyclopropyl)phenol

C9H11NO — CID 55296554

IUPAC3-(1-aminocyclopropyl)phenol
SMILESNC1(c2cccc(O)c2)CC1
InChIInChI=1S/C9H11NO/c10-9(4-5-9)7-2-1-3-8(11)6-7/h1-3,6,11H,4-5,10H2
InChIKeyXETKQZJGDKSCLG-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.34
Rot. Bonds1

About 3-(1-aminocyclopropyl)phenol

3-(1-aminocyclopropyl)phenol (PubChem CID 55296554) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 3-(1-aminocyclopropyl)phenol.

Molecular Properties

Compound Name3-(1-aminocyclopropyl)phenol
PubChem CID55296554
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name3-(1-aminocyclopropyl)phenol
SMILESNC1(c2cccc(O)c2)CC1
InChIInChI=1S/C9H11NO/c10-9(4-5-9)7-2-1-3-8(11)6-7/h1-3,6,11H,4-5,10H2
InChIKeyXETKQZJGDKSCLG-UHFFFAOYSA-N
XLogP1.34
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-aminocyclobutyl)phenol
CID 82596466
3-(1-amino-3-hydroxy-3-methylcyclobutyl)phenol
CID 115019423
1-(3-bromophenyl)cyclopropan-1-amine
CID 11127564
1-(3-fluorophenyl)cyclopropan-1-amine;hydrochloride
CID 53256538
3-(1-bicyclo[1.1.1]pentanyl)phenol
CID 122235352
1-[3-(oxetan-3-yl)phenyl]cyclopropan-1-amine
CID 84771178
3-(1-aminocyclopropyl)benzaldehyde
CID 55296050
1-(3-propan-2-ylphenyl)cyclopropan-1-amine
CID 55268959
1-(3-hydroxyphenyl)cyclopropane-1-carbonitrile
CID 66875026
3-(1-aminocyclopropyl)benzenesulfonamide
CID 70895936
3-[1-(dimethylamino)cyclopentyl]phenol
CID 115024208
3-(1-aminocyclopentyl)aniline
CID 117047301

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminocyclopropyl)phenol?
The IUPAC name of 3-(1-aminocyclopropyl)phenol (CID 55296554) is 3-(1-aminocyclopropyl)phenol.
What is the SMILES notation for 3-(1-aminocyclopropyl)phenol?
The canonical SMILES for 3-(1-aminocyclopropyl)phenol is NC1(c2cccc(O)c2)CC1.
What is the InChIKey of 3-(1-aminocyclopropyl)phenol?
The InChIKey is XETKQZJGDKSCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c10-9(4-5-9)7-2-1-3-8(11)6-7/h1-3,6,11H,4-5,10H2.
What are the key properties of 3-(1-aminocyclopropyl)phenol?
3-(1-aminocyclopropyl)phenol has a molecular weight of 149.19 g/mol, XLogP of 1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminocyclopropyl)phenol is sourced from PubChem (CID 55296554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).