1-(4-tert-butylphenyl)pyrrolidin-3-amine

C14H22N2 — CID 43314959

IUPAC1-(4-tert-butylphenyl)pyrrolidin-3-amine
SMILESCC(C)(C)c1ccc(N2CCC(N)C2)cc1
InChIInChI=1S/C14H22N2/c1-14(2,3)11-4-6-13(7-5-11)16-9-8-12(15)10-16/h4-7,12H,8-10,15H2,1-3H3
InChIKeySUMCBXQLLKOORN-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.52
Rot. Bonds1

About 1-(4-tert-butylphenyl)pyrrolidin-3-amine

1-(4-tert-butylphenyl)pyrrolidin-3-amine (PubChem CID 43314959) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)pyrrolidin-3-amine
PubChem CID43314959
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1-(4-tert-butylphenyl)pyrrolidin-3-amine
SMILESCC(C)(C)c1ccc(N2CCC(N)C2)cc1
InChIInChI=1S/C14H22N2/c1-14(2,3)11-4-6-13(7-5-11)16-9-8-12(15)10-16/h4-7,12H,8-10,15H2,1-3H3
InChIKeySUMCBXQLLKOORN-UHFFFAOYSA-N
XLogP2.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)pyrrolidin-3-amine?
The IUPAC name of 1-(4-tert-butylphenyl)pyrrolidin-3-amine (CID 43314959) is 1-(4-tert-butylphenyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(4-tert-butylphenyl)pyrrolidin-3-amine?
The canonical SMILES for 1-(4-tert-butylphenyl)pyrrolidin-3-amine is CC(C)(C)c1ccc(N2CCC(N)C2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)pyrrolidin-3-amine?
The InChIKey is SUMCBXQLLKOORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-14(2,3)11-4-6-13(7-5-11)16-9-8-12(15)10-16/h4-7,12H,8-10,15H2,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)pyrrolidin-3-amine?
1-(4-tert-butylphenyl)pyrrolidin-3-amine has a molecular weight of 218.34 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)pyrrolidin-3-amine is sourced from PubChem (CID 43314959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).