(3-aminophenyl)-(1-propylpyrrol-2-yl)methanol

C14H18N2O — CID 14500639

IUPAC(3-aminophenyl)-(1-propylpyrrol-2-yl)methanol
SMILESCCCn1cccc1C(O)c1cccc(N)c1
InChIInChI=1S/C14H18N2O/c1-2-8-16-9-4-7-13(16)14(17)11-5-3-6-12(15)10-11/h3-7,9-10,14,17H,2,8,15H2,1H3
InChIKeyYNVNQUOMCQWGAN-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.56
Rot. Bonds4

About (3-aminophenyl)-(1-propylpyrrol-2-yl)methanol

(3-aminophenyl)-(1-propylpyrrol-2-yl)methanol (PubChem CID 14500639) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is (3-aminophenyl)-(1-propylpyrrol-2-yl)methanol.

Molecular Properties

Compound Name(3-aminophenyl)-(1-propylpyrrol-2-yl)methanol
PubChem CID14500639
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name(3-aminophenyl)-(1-propylpyrrol-2-yl)methanol
SMILESCCCn1cccc1C(O)c1cccc(N)c1
InChIInChI=1S/C14H18N2O/c1-2-8-16-9-4-7-13(16)14(17)11-5-3-6-12(15)10-11/h3-7,9-10,14,17H,2,8,15H2,1H3
InChIKeyYNVNQUOMCQWGAN-UHFFFAOYSA-N
XLogP2.56
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-(1-propylpyrrol-2-yl)methanol?
The IUPAC name of (3-aminophenyl)-(1-propylpyrrol-2-yl)methanol (CID 14500639) is (3-aminophenyl)-(1-propylpyrrol-2-yl)methanol.
What is the SMILES notation for (3-aminophenyl)-(1-propylpyrrol-2-yl)methanol?
The canonical SMILES for (3-aminophenyl)-(1-propylpyrrol-2-yl)methanol is CCCn1cccc1C(O)c1cccc(N)c1.
What is the InChIKey of (3-aminophenyl)-(1-propylpyrrol-2-yl)methanol?
The InChIKey is YNVNQUOMCQWGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-2-8-16-9-4-7-13(16)14(17)11-5-3-6-12(15)10-11/h3-7,9-10,14,17H,2,8,15H2,1H3.
What are the key properties of (3-aminophenyl)-(1-propylpyrrol-2-yl)methanol?
(3-aminophenyl)-(1-propylpyrrol-2-yl)methanol has a molecular weight of 230.31 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-(1-propylpyrrol-2-yl)methanol is sourced from PubChem (CID 14500639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).