2-(4-cyclopropylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine

C17H26N2 — CID 79984492

IUPAC2-(4-cyclopropylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
SMILESCC1(C)CCCN1C(CN)c1ccc(C2CC2)cc1
InChIInChI=1S/C17H26N2/c1-17(2)10-3-11-19(17)16(12-18)15-8-6-14(7-9-15)13-4-5-13/h6-9,13,16H,3-5,10-12,18H2,1-2H3
InChIKeyPJUNKCDHCZFKOS-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.44
Rot. Bonds4

About 2-(4-cyclopropylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine

2-(4-cyclopropylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine (PubChem CID 79984492) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 2-(4-cyclopropylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-cyclopropylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
PubChem CID79984492
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name2-(4-cyclopropylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
SMILESCC1(C)CCCN1C(CN)c1ccc(C2CC2)cc1
InChIInChI=1S/C17H26N2/c1-17(2)10-3-11-19(17)16(12-18)15-8-6-14(7-9-15)13-4-5-13/h6-9,13,16H,3-5,10-12,18H2,1-2H3
InChIKeyPJUNKCDHCZFKOS-UHFFFAOYSA-N
XLogP3.44
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine?
The IUPAC name of 2-(4-cyclopropylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine (CID 79984492) is 2-(4-cyclopropylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 2-(4-cyclopropylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine?
The canonical SMILES for 2-(4-cyclopropylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine is CC1(C)CCCN1C(CN)c1ccc(C2CC2)cc1.
What is the InChIKey of 2-(4-cyclopropylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine?
The InChIKey is PJUNKCDHCZFKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-17(2)10-3-11-19(17)16(12-18)15-8-6-14(7-9-15)13-4-5-13/h6-9,13,16H,3-5,10-12,18H2,1-2H3.
What are the key properties of 2-(4-cyclopropylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine?
2-(4-cyclopropylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine has a molecular weight of 258.41 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 79984492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).