3-[amino(pyrrolidin-3-yl)methyl]phenol

C11H16N2O — CID 105446386

IUPAC3-[amino(pyrrolidin-3-yl)methyl]phenol
SMILESNC(c1cccc(O)c1)C1CCNC1
InChIInChI=1S/C11H16N2O/c12-11(9-4-5-13-7-9)8-2-1-3-10(14)6-8/h1-3,6,9,11,13-14H,4-5,7,12H2
InChIKeySXZHTNASKABOQG-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.00
Rot. Bonds2

About 3-[amino(pyrrolidin-3-yl)methyl]phenol

3-[amino(pyrrolidin-3-yl)methyl]phenol (PubChem CID 105446386) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-[amino(pyrrolidin-3-yl)methyl]phenol.

Molecular Properties

Compound Name3-[amino(pyrrolidin-3-yl)methyl]phenol
PubChem CID105446386
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-[amino(pyrrolidin-3-yl)methyl]phenol
SMILESNC(c1cccc(O)c1)C1CCNC1
InChIInChI=1S/C11H16N2O/c12-11(9-4-5-13-7-9)8-2-1-3-10(14)6-8/h1-3,6,9,11,13-14H,4-5,7,12H2
InChIKeySXZHTNASKABOQG-UHFFFAOYSA-N
XLogP1.00
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(R)-amino(piperidin-4-yl)methyl]phenol;hydrochloride
CID 171314082
2-(3-hydroxyphenyl)-2-pyrrolidin-3-ylacetaldehyde
CID 105457558
3-[(S)-amino(cyclobutyl)methyl]phenol;hydrochloride
CID 171218060
3-[amino(cyclohexyl)methyl]phenol
CID 105457850
(3,4-dimethylphenyl)-pyrrolidin-3-ylmethanamine
CID 116935490
(R)-(3-chlorophenyl)-piperidin-4-ylmethanamine
CID 171314128
(4-propan-2-ylphenyl)-pyrrolidin-3-ylmethanamine
CID 116935488
pyrrolidin-3-yl(1H-pyrrol-3-yl)methanamine
CID 116935548
3-(1-pyrrolidin-3-ylpropan-2-yl)phenol
CID 83908768
(R)-[3-(difluoromethoxy)phenyl]-piperidin-4-ylmethanamine;hydrochloride
CID 171314391
3-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]phenol;hydrochloride
CID 171160686
3-[(1S)-1-amino-2-cyclopropylethyl]phenol;hydrochloride
CID 171218055

Frequently Asked Questions

What is the IUPAC name of 3-[amino(pyrrolidin-3-yl)methyl]phenol?
The IUPAC name of 3-[amino(pyrrolidin-3-yl)methyl]phenol (CID 105446386) is 3-[amino(pyrrolidin-3-yl)methyl]phenol.
What is the SMILES notation for 3-[amino(pyrrolidin-3-yl)methyl]phenol?
The canonical SMILES for 3-[amino(pyrrolidin-3-yl)methyl]phenol is NC(c1cccc(O)c1)C1CCNC1.
What is the InChIKey of 3-[amino(pyrrolidin-3-yl)methyl]phenol?
The InChIKey is SXZHTNASKABOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c12-11(9-4-5-13-7-9)8-2-1-3-10(14)6-8/h1-3,6,9,11,13-14H,4-5,7,12H2.
What are the key properties of 3-[amino(pyrrolidin-3-yl)methyl]phenol?
3-[amino(pyrrolidin-3-yl)methyl]phenol has a molecular weight of 192.26 g/mol, XLogP of 1.00, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino(pyrrolidin-3-yl)methyl]phenol is sourced from PubChem (CID 105446386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).