4-[4-(pyrrolidin-1-ylmethyl)phenyl]butan-1-amine

C15H24N2 — CID 117337056

IUPAC4-[4-(pyrrolidin-1-ylmethyl)phenyl]butan-1-amine
SMILESNCCCCc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C15H24N2/c16-10-2-1-5-14-6-8-15(9-7-14)13-17-11-3-4-12-17/h6-9H,1-5,10-13,16H2
InChIKeyFMDDYNGMZMOSSP-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.56
Rot. Bonds6

About 4-[4-(pyrrolidin-1-ylmethyl)phenyl]butan-1-amine

4-[4-(pyrrolidin-1-ylmethyl)phenyl]butan-1-amine (PubChem CID 117337056) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 4-[4-(pyrrolidin-1-ylmethyl)phenyl]butan-1-amine.

Molecular Properties

Compound Name4-[4-(pyrrolidin-1-ylmethyl)phenyl]butan-1-amine
PubChem CID117337056
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name4-[4-(pyrrolidin-1-ylmethyl)phenyl]butan-1-amine
SMILESNCCCCc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C15H24N2/c16-10-2-1-5-14-6-8-15(9-7-14)13-17-11-3-4-12-17/h6-9H,1-5,10-13,16H2
InChIKeyFMDDYNGMZMOSSP-UHFFFAOYSA-N
XLogP2.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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N-Ethylbenzylamine
CID 84352
3-Phenylpyrrolidine
CID 3146743
1-Benzyl-2,5-dihydropyrrole
CID 561506
1-(Phenylmethyl)pyrrolidine
CID 122501
N-Propylbenzylamine
CID 74850
Benzyl(2-phenylethyl)amine hydrochloride
CID 201099
1-Benzyl-4-piperidylamine
CID 415852
2-Phenylpyrrolidine
CID 261892

Frequently Asked Questions

What is the IUPAC name of 4-[4-(pyrrolidin-1-ylmethyl)phenyl]butan-1-amine?
The IUPAC name of 4-[4-(pyrrolidin-1-ylmethyl)phenyl]butan-1-amine (CID 117337056) is 4-[4-(pyrrolidin-1-ylmethyl)phenyl]butan-1-amine.
What is the SMILES notation for 4-[4-(pyrrolidin-1-ylmethyl)phenyl]butan-1-amine?
The canonical SMILES for 4-[4-(pyrrolidin-1-ylmethyl)phenyl]butan-1-amine is NCCCCc1ccc(CN2CCCC2)cc1.
What is the InChIKey of 4-[4-(pyrrolidin-1-ylmethyl)phenyl]butan-1-amine?
The InChIKey is FMDDYNGMZMOSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c16-10-2-1-5-14-6-8-15(9-7-14)13-17-11-3-4-12-17/h6-9H,1-5,10-13,16H2.
What are the key properties of 4-[4-(pyrrolidin-1-ylmethyl)phenyl]butan-1-amine?
4-[4-(pyrrolidin-1-ylmethyl)phenyl]butan-1-amine has a molecular weight of 232.37 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(pyrrolidin-1-ylmethyl)phenyl]butan-1-amine is sourced from PubChem (CID 117337056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).