1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylethanamine

C15H24N2 — CID 16643528

IUPAC1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylethanamine
SMILESCC(C)c1ccc(C(N)CN2CCCC2)cc1
InChIInChI=1S/C15H24N2/c1-12(2)13-5-7-14(8-6-13)15(16)11-17-9-3-4-10-17/h5-8,12,15H,3-4,9-11,16H2,1-2H3
InChIKeyLXSPNXPIYGSJCR-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.91
Rot. Bonds4

About 1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylethanamine

1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylethanamine (PubChem CID 16643528) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound Name1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylethanamine
PubChem CID16643528
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylethanamine
SMILESCC(C)c1ccc(C(N)CN2CCCC2)cc1
InChIInChI=1S/C15H24N2/c1-12(2)13-5-7-14(8-6-13)15(16)11-17-9-3-4-10-17/h5-8,12,15H,3-4,9-11,16H2,1-2H3
InChIKeyLXSPNXPIYGSJCR-UHFFFAOYSA-N
XLogP2.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)-2-piperidin-1-ylethanamine
CID 16643517
2-(azepan-1-yl)-1-(4-bromophenyl)ethanamine
CID 16643571
2-(4-methoxypiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanamine
CID 43372809
2-(azepan-1-yl)-1-(4-ethoxyphenyl)ethanamine
CID 16643631
(1R)-2-(azetidin-1-yl)-1-phenylethanamine
CID 58948538
1-[2-amino-2-(4-propan-2-ylphenyl)ethyl]piperidin-2-one
CID 43212281
1-[2-fluoro-2-(4-propan-2-ylphenyl)ethyl]piperidine;hydrochloride
CID 131865136
2-(azocan-1-yl)-1-naphthalen-2-ylethanamine
CID 43097660
1-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63164076
2-(azepan-1-yl)-1-(4-propoxyphenyl)ethanamine
CID 16785820
2-(azetidin-1-yl)-1-(3,4-dichlorophenyl)ethanamine
CID 142799873
2-(4-methyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)ethanamine
CID 43211438

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylethanamine?
The IUPAC name of 1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylethanamine (CID 16643528) is 1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for 1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for 1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylethanamine is CC(C)c1ccc(C(N)CN2CCCC2)cc1.
What is the InChIKey of 1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylethanamine?
The InChIKey is LXSPNXPIYGSJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-12(2)13-5-7-14(8-6-13)15(16)11-17-9-3-4-10-17/h5-8,12,15H,3-4,9-11,16H2,1-2H3.
What are the key properties of 1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylethanamine?
1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylethanamine has a molecular weight of 232.37 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 16643528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).