3-(2-amino-2-pyrrolidin-1-ylpropyl)phenol;hydrochloride

C13H21ClN2O — CID 67598749

IUPAC3-(2-amino-2-pyrrolidin-1-ylpropyl)phenol;hydrochloride
SMILESCC(N)(Cc1cccc(O)c1)N1CCCC1.Cl
InChIInChI=1S/C13H20N2O.ClH/c1-13(14,15-7-2-3-8-15)10-11-5-4-6-12(16)9-11;/h4-6,9,16H,2-3,7-8,10,14H2,1H3;1H
InChIKeyNPJBXSNLEPQBKP-UHFFFAOYSA-N
MW256.78 g/mol
LogP2.13
Rot. Bonds3

About 3-(2-amino-2-pyrrolidin-1-ylpropyl)phenol;hydrochloride

3-(2-amino-2-pyrrolidin-1-ylpropyl)phenol;hydrochloride (PubChem CID 67598749) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is 3-(2-amino-2-pyrrolidin-1-ylpropyl)phenol;hydrochloride.

Molecular Properties

Compound Name3-(2-amino-2-pyrrolidin-1-ylpropyl)phenol;hydrochloride
PubChem CID67598749
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name3-(2-amino-2-pyrrolidin-1-ylpropyl)phenol;hydrochloride
SMILESCC(N)(Cc1cccc(O)c1)N1CCCC1.Cl
InChIInChI=1S/C13H20N2O.ClH/c1-13(14,15-7-2-3-8-15)10-11-5-4-6-12(16)9-11;/h4-6,9,16H,2-3,7-8,10,14H2,1H3;1H
InChIKeyNPJBXSNLEPQBKP-UHFFFAOYSA-N
XLogP2.13
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-amino-2-piperazin-1-ylpropyl)phenol
CID 84748340
2-(azepan-1-yl)-3-(3-hydroxyphenyl)-2-methylpropanenitrile
CID 84751674
2-(azepan-1-yl)-1-(3-propan-2-yloxyphenyl)propan-2-amine
CID 84747598
4-(2-amino-2-piperidin-1-ylpropyl)-2-methoxyphenol
CID 84748251
4-[2-amino-2-(azepan-1-yl)propyl]-2-methoxyphenol
CID 84747554
1-(3,4-difluorophenyl)-2-piperidin-1-ylpropan-2-amine
CID 84748274
3-(3-amino-2-methyl-2-piperazin-1-ylpropyl)phenol
CID 84752324
2-amino-3-(3-hydroxyphenyl)-2-methylpropanoic acid;hydrate
CID 2729001
1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylpropan-2-amine
CID 84747850
3-(3-amino-3-methylbutyl)phenol
CID 19863682
3-[2-(aminomethyl)-3,3-difluoro-2-methylpropyl]phenol
CID 84723725
3-[2,2,2-tris(3-hydroxyphenyl)ethyl]phenol
CID 57265568

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-pyrrolidin-1-ylpropyl)phenol;hydrochloride?
The IUPAC name of 3-(2-amino-2-pyrrolidin-1-ylpropyl)phenol;hydrochloride (CID 67598749) is 3-(2-amino-2-pyrrolidin-1-ylpropyl)phenol;hydrochloride.
What is the SMILES notation for 3-(2-amino-2-pyrrolidin-1-ylpropyl)phenol;hydrochloride?
The canonical SMILES for 3-(2-amino-2-pyrrolidin-1-ylpropyl)phenol;hydrochloride is CC(N)(Cc1cccc(O)c1)N1CCCC1.Cl.
What is the InChIKey of 3-(2-amino-2-pyrrolidin-1-ylpropyl)phenol;hydrochloride?
The InChIKey is NPJBXSNLEPQBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O.ClH/c1-13(14,15-7-2-3-8-15)10-11-5-4-6-12(16)9-11;/h4-6,9,16H,2-3,7-8,10,14H2,1H3;1H.
What are the key properties of 3-(2-amino-2-pyrrolidin-1-ylpropyl)phenol;hydrochloride?
3-(2-amino-2-pyrrolidin-1-ylpropyl)phenol;hydrochloride has a molecular weight of 256.78 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-pyrrolidin-1-ylpropyl)phenol;hydrochloride is sourced from PubChem (CID 67598749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).