1-[2-(2-propan-2-ylpyrrolidin-1-yl)phenyl]-N-propylpropan-1-amine

C19H32N2 — CID 115995308

IUPAC1-[2-(2-propan-2-ylpyrrolidin-1-yl)phenyl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccccc1N1CCCC1C(C)C
InChIInChI=1S/C19H32N2/c1-5-13-20-17(6-2)16-10-7-8-11-19(16)21-14-9-12-18(21)15(3)4/h7-8,10-11,15,17-18,20H,5-6,9,12-14H2,1-4H3
InChIKeyFURPDQHTLXWWPG-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.76
Rot. Bonds7

About 1-[2-(2-propan-2-ylpyrrolidin-1-yl)phenyl]-N-propylpropan-1-amine

1-[2-(2-propan-2-ylpyrrolidin-1-yl)phenyl]-N-propylpropan-1-amine (PubChem CID 115995308) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-[2-(2-propan-2-ylpyrrolidin-1-yl)phenyl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[2-(2-propan-2-ylpyrrolidin-1-yl)phenyl]-N-propylpropan-1-amine
PubChem CID115995308
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name1-[2-(2-propan-2-ylpyrrolidin-1-yl)phenyl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccccc1N1CCCC1C(C)C
InChIInChI=1S/C19H32N2/c1-5-13-20-17(6-2)16-10-7-8-11-19(16)21-14-9-12-18(21)15(3)4/h7-8,10-11,15,17-18,20H,5-6,9,12-14H2,1-4H3
InChIKeyFURPDQHTLXWWPG-UHFFFAOYSA-N
XLogP4.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2,4-dimethylpiperidin-1-yl)phenyl]-N-propylpropan-1-amine
CID 115995156
1-[2-(azepan-1-yl)phenyl]-N-propylpropan-1-amine
CID 115994785
1-[2-(3-methylpyrrolidin-1-yl)phenyl]-N-propylpropan-1-amine
CID 112677950
1-(2-morpholin-4-ylphenyl)-N-propylpropan-1-amine
CID 112677731
1-[2-(4-methyl-1,4-diazepan-1-yl)phenyl]-N-propylpropan-1-amine
CID 115994832
1-[2-(bromomethyl)phenyl]-2-propan-2-ylpyrrolidine
CID 107084258
1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]phenyl]-N-methylpropan-1-amine
CID 102726801
2-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]pyrrolidine
CID 154695458
1-[2-(2-ethylpiperidin-1-yl)phenyl]-N-methylpropan-1-amine
CID 112677835
1-[2-(4,5-dimethylimidazol-1-yl)phenyl]-N-propylpropan-1-amine
CID 115995444
1-[2-(2,5-dimethylpiperidin-1-yl)phenyl]-N-ethylpropan-1-amine
CID 115995307
N-[[3-(2-propan-2-ylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 105074117

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-propan-2-ylpyrrolidin-1-yl)phenyl]-N-propylpropan-1-amine?
The IUPAC name of 1-[2-(2-propan-2-ylpyrrolidin-1-yl)phenyl]-N-propylpropan-1-amine (CID 115995308) is 1-[2-(2-propan-2-ylpyrrolidin-1-yl)phenyl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[2-(2-propan-2-ylpyrrolidin-1-yl)phenyl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[2-(2-propan-2-ylpyrrolidin-1-yl)phenyl]-N-propylpropan-1-amine is CCCNC(CC)c1ccccc1N1CCCC1C(C)C.
What is the InChIKey of 1-[2-(2-propan-2-ylpyrrolidin-1-yl)phenyl]-N-propylpropan-1-amine?
The InChIKey is FURPDQHTLXWWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-5-13-20-17(6-2)16-10-7-8-11-19(16)21-14-9-12-18(21)15(3)4/h7-8,10-11,15,17-18,20H,5-6,9,12-14H2,1-4H3.
What are the key properties of 1-[2-(2-propan-2-ylpyrrolidin-1-yl)phenyl]-N-propylpropan-1-amine?
1-[2-(2-propan-2-ylpyrrolidin-1-yl)phenyl]-N-propylpropan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-propan-2-ylpyrrolidin-1-yl)phenyl]-N-propylpropan-1-amine is sourced from PubChem (CID 115995308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).