4-(pyrrolidin-1-ylmethyl)aniline;hydrochloride

C11H17ClN2 — CID 17139058

IUPAC4-(pyrrolidin-1-ylmethyl)aniline;hydrochloride
SMILESCl.Nc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C11H16N2.ClH/c12-11-5-3-10(4-6-11)9-13-7-1-2-8-13;/h3-6H,1-2,7-9,12H2;1H
InChIKeyFEAQNMHHJOVWQP-UHFFFAOYSA-N
MW212.72 g/mol
LogP2.29
Rot. Bonds2

About 4-(pyrrolidin-1-ylmethyl)aniline;hydrochloride

4-(pyrrolidin-1-ylmethyl)aniline;hydrochloride (PubChem CID 17139058) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is 4-(pyrrolidin-1-ylmethyl)aniline;hydrochloride.

Molecular Properties

Compound Name4-(pyrrolidin-1-ylmethyl)aniline;hydrochloride
PubChem CID17139058
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC Name4-(pyrrolidin-1-ylmethyl)aniline;hydrochloride
SMILESCl.Nc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C11H16N2.ClH/c12-11-5-3-10(4-6-11)9-13-7-1-2-8-13;/h3-6H,1-2,7-9,12H2;1H
InChIKeyFEAQNMHHJOVWQP-UHFFFAOYSA-N
XLogP2.29
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(pyrrolidin-1-ylmethyl)aniline;hydrochloride?
The IUPAC name of 4-(pyrrolidin-1-ylmethyl)aniline;hydrochloride (CID 17139058) is 4-(pyrrolidin-1-ylmethyl)aniline;hydrochloride.
What is the SMILES notation for 4-(pyrrolidin-1-ylmethyl)aniline;hydrochloride?
The canonical SMILES for 4-(pyrrolidin-1-ylmethyl)aniline;hydrochloride is Cl.Nc1ccc(CN2CCCC2)cc1.
What is the InChIKey of 4-(pyrrolidin-1-ylmethyl)aniline;hydrochloride?
The InChIKey is FEAQNMHHJOVWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2.ClH/c12-11-5-3-10(4-6-11)9-13-7-1-2-8-13;/h3-6H,1-2,7-9,12H2;1H.
What are the key properties of 4-(pyrrolidin-1-ylmethyl)aniline;hydrochloride?
4-(pyrrolidin-1-ylmethyl)aniline;hydrochloride has a molecular weight of 212.72 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrrolidin-1-ylmethyl)aniline;hydrochloride is sourced from PubChem (CID 17139058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).