4-[2-(ethylaminomethyl)cyclopropyl]phenol

C12H17NO — CID 82228522

IUPAC4-[2-(ethylaminomethyl)cyclopropyl]phenol
SMILESCCNCC1CC1c1ccc(O)cc1
InChIInChI=1S/C12H17NO/c1-2-13-8-10-7-12(10)9-3-5-11(14)6-4-9/h3-6,10,12-14H,2,7-8H2,1H3
InChIKeyIBNRJCNNBBFKGI-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.11
Rot. Bonds4

About 4-[2-(ethylaminomethyl)cyclopropyl]phenol

4-[2-(ethylaminomethyl)cyclopropyl]phenol (PubChem CID 82228522) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 4-[2-(ethylaminomethyl)cyclopropyl]phenol.

Molecular Properties

Compound Name4-[2-(ethylaminomethyl)cyclopropyl]phenol
PubChem CID82228522
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name4-[2-(ethylaminomethyl)cyclopropyl]phenol
SMILESCCNCC1CC1c1ccc(O)cc1
InChIInChI=1S/C12H17NO/c1-2-13-8-10-7-12(10)9-3-5-11(14)6-4-9/h3-6,10,12-14H,2,7-8H2,1H3
InChIKeyIBNRJCNNBBFKGI-UHFFFAOYSA-N
XLogP2.11
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(ethylaminomethyl)cyclopropyl]phenol?
The IUPAC name of 4-[2-(ethylaminomethyl)cyclopropyl]phenol (CID 82228522) is 4-[2-(ethylaminomethyl)cyclopropyl]phenol.
What is the SMILES notation for 4-[2-(ethylaminomethyl)cyclopropyl]phenol?
The canonical SMILES for 4-[2-(ethylaminomethyl)cyclopropyl]phenol is CCNCC1CC1c1ccc(O)cc1.
What is the InChIKey of 4-[2-(ethylaminomethyl)cyclopropyl]phenol?
The InChIKey is IBNRJCNNBBFKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-2-13-8-10-7-12(10)9-3-5-11(14)6-4-9/h3-6,10,12-14H,2,7-8H2,1H3.
What are the key properties of 4-[2-(ethylaminomethyl)cyclopropyl]phenol?
4-[2-(ethylaminomethyl)cyclopropyl]phenol has a molecular weight of 191.27 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(ethylaminomethyl)cyclopropyl]phenol is sourced from PubChem (CID 82228522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).