(3-amino-4-pyrrolidin-1-ylphenyl)methanol

C11H16N2O — CID 94830386

IUPAC(3-amino-4-pyrrolidin-1-ylphenyl)methanol
SMILESNc1cc(CO)ccc1N1CCCC1
InChIInChI=1S/C11H16N2O/c12-10-7-9(8-14)3-4-11(10)13-5-1-2-6-13/h3-4,7,14H,1-2,5-6,8,12H2
InChIKeyYCQWBJBRZSODOL-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.36
Rot. Bonds2

About (3-amino-4-pyrrolidin-1-ylphenyl)methanol

(3-amino-4-pyrrolidin-1-ylphenyl)methanol (PubChem CID 94830386) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is (3-amino-4-pyrrolidin-1-ylphenyl)methanol.

Molecular Properties

Compound Name(3-amino-4-pyrrolidin-1-ylphenyl)methanol
PubChem CID94830386
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name(3-amino-4-pyrrolidin-1-ylphenyl)methanol
SMILESNc1cc(CO)ccc1N1CCCC1
InChIInChI=1S/C11H16N2O/c12-10-7-9(8-14)3-4-11(10)13-5-1-2-6-13/h3-4,7,14H,1-2,5-6,8,12H2
InChIKeyYCQWBJBRZSODOL-UHFFFAOYSA-N
XLogP1.36
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(aminomethyl)-2-piperidin-1-ylaniline
CID 82506966
5-benzyl-2-pyrrolidin-1-ylaniline
CID 39356087
5-(hydroxymethyl)-2-piperidin-1-ylbenzamide
CID 68506696
3-(3-amino-4-piperidin-1-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 82070972
2-piperidin-1-yl-5-(3-piperidin-1-ylpropyl)aniline
CID 82070762
2-(3-amino-4-piperidin-1-ylphenyl)propan-1-ol
CID 154114930
2-(azocan-1-yl)-5-fluoroaniline
CID 28799703
2-(azepan-1-yl)-5-fluoroaniline
CID 6485407
5-fluoro-2-piperidin-1-ylaniline
CID 6485403
(5-amino-2-piperidin-1-ylphenyl)methanol
CID 118164480
5-(3-anilinopropyl)-2-pyrrolidin-1-ylaniline
CID 39112407
3-(3-amino-4-pyrrolidin-1-ylphenyl)-N,N-bis(2-methylpropyl)propanamide
CID 39131071

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-pyrrolidin-1-ylphenyl)methanol?
The IUPAC name of (3-amino-4-pyrrolidin-1-ylphenyl)methanol (CID 94830386) is (3-amino-4-pyrrolidin-1-ylphenyl)methanol.
What is the SMILES notation for (3-amino-4-pyrrolidin-1-ylphenyl)methanol?
The canonical SMILES for (3-amino-4-pyrrolidin-1-ylphenyl)methanol is Nc1cc(CO)ccc1N1CCCC1.
What is the InChIKey of (3-amino-4-pyrrolidin-1-ylphenyl)methanol?
The InChIKey is YCQWBJBRZSODOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c12-10-7-9(8-14)3-4-11(10)13-5-1-2-6-13/h3-4,7,14H,1-2,5-6,8,12H2.
What are the key properties of (3-amino-4-pyrrolidin-1-ylphenyl)methanol?
(3-amino-4-pyrrolidin-1-ylphenyl)methanol has a molecular weight of 192.26 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-pyrrolidin-1-ylphenyl)methanol is sourced from PubChem (CID 94830386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).