1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylpropan-2-amine

C16H26N2 — CID 84747850

IUPAC1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylpropan-2-amine
SMILESCC(C)c1ccc(CC(C)(N)N2CCCC2)cc1
InChIInChI=1S/C16H26N2/c1-13(2)15-8-6-14(7-9-15)12-16(3,17)18-10-4-5-11-18/h6-9,13H,4-5,10-12,17H2,1-3H3
InChIKeyHNRQIWRYQCIREU-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.12
Rot. Bonds4

About 1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylpropan-2-amine

1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylpropan-2-amine (PubChem CID 84747850) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylpropan-2-amine.

Molecular Properties

Compound Name1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylpropan-2-amine
PubChem CID84747850
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylpropan-2-amine
SMILESCC(C)c1ccc(CC(C)(N)N2CCCC2)cc1
InChIInChI=1S/C16H26N2/c1-13(2)15-8-6-14(7-9-15)12-16(3,17)18-10-4-5-11-18/h6-9,13H,4-5,10-12,17H2,1-3H3
InChIKeyHNRQIWRYQCIREU-UHFFFAOYSA-N
XLogP3.12
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorophenyl)-2-piperidin-1-ylpropan-2-amine
CID 84748274
2-methyl-2-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-1-amine
CID 79060271
3-methyl-3-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-2-one
CID 79051555
2-(azepan-1-yl)-1-(3-propan-2-yloxyphenyl)propan-2-amine
CID 84747598
1-(2,2-dimethylpropyl)-4-propan-2-ylbenzene;methane
CID 166076943
2-(azepan-1-yl)-1-(2-chlorophenyl)propan-2-amine
CID 84752536
N,2-dimethyl-1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylbutan-1-amine
CID 79059314
3-(2-amino-2-pyrrolidin-1-ylpropyl)phenol;hydrochloride
CID 67598749
2-methyl-2-(3-methylpiperidin-1-yl)-3-(4-propan-2-ylphenyl)propanenitrile
CID 84751695
4-(2-amino-2-piperidin-1-ylpropyl)-2-methoxyphenol
CID 84748251
1-(2,3-dichlorophenyl)-2-pyrrolidin-1-ylpropan-2-amine
CID 84747889
2-methyl-2-piperazin-1-yl-3-(4-propan-2-ylphenyl)propanenitrile
CID 84751985

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylpropan-2-amine?
The IUPAC name of 1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylpropan-2-amine (CID 84747850) is 1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylpropan-2-amine.
What is the SMILES notation for 1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylpropan-2-amine?
The canonical SMILES for 1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylpropan-2-amine is CC(C)c1ccc(CC(C)(N)N2CCCC2)cc1.
What is the InChIKey of 1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylpropan-2-amine?
The InChIKey is HNRQIWRYQCIREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13(2)15-8-6-14(7-9-15)12-16(3,17)18-10-4-5-11-18/h6-9,13H,4-5,10-12,17H2,1-3H3.
What are the key properties of 1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylpropan-2-amine?
1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylpropan-2-amine has a molecular weight of 246.40 g/mol, XLogP of 3.12, 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-ylpropan-2-amine is sourced from PubChem (CID 84747850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).