2-ethyl-1-phenyl-N-(1-pyrrolidin-2-ylpropan-2-yl)butan-1-amine

C19H32N2 — CID 79538040

IUPAC2-ethyl-1-phenyl-N-(1-pyrrolidin-2-ylpropan-2-yl)butan-1-amine
SMILESCCC(CC)C(NC(C)CC1CCCN1)c1ccccc1
InChIInChI=1S/C19H32N2/c1-4-16(5-2)19(17-10-7-6-8-11-17)21-15(3)14-18-12-9-13-20-18/h6-8,10-11,15-16,18-21H,4-5,9,12-14H2,1-3H3
InChIKeyLALOJTFFRTUYGD-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.28
Rot. Bonds8

About 2-ethyl-1-phenyl-N-(1-pyrrolidin-2-ylpropan-2-yl)butan-1-amine

2-ethyl-1-phenyl-N-(1-pyrrolidin-2-ylpropan-2-yl)butan-1-amine (PubChem CID 79538040) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 2-ethyl-1-phenyl-N-(1-pyrrolidin-2-ylpropan-2-yl)butan-1-amine.

Molecular Properties

Compound Name2-ethyl-1-phenyl-N-(1-pyrrolidin-2-ylpropan-2-yl)butan-1-amine
PubChem CID79538040
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name2-ethyl-1-phenyl-N-(1-pyrrolidin-2-ylpropan-2-yl)butan-1-amine
SMILESCCC(CC)C(NC(C)CC1CCCN1)c1ccccc1
InChIInChI=1S/C19H32N2/c1-4-16(5-2)19(17-10-7-6-8-11-17)21-15(3)14-18-12-9-13-20-18/h6-8,10-11,15-16,18-21H,4-5,9,12-14H2,1-3H3
InChIKeyLALOJTFFRTUYGD-UHFFFAOYSA-N
XLogP4.28
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(azepan-2-yl)propan-2-yl]-2-methyl-1-phenylpropan-1-amine
CID 79540841
2-phenyl-2-(1-pyrrolidin-2-ylpropan-2-ylamino)ethanol
CID 79539961
2,2-dimethyl-1-phenyl-N-(1-piperidin-2-ylpropan-2-yl)propan-1-amine
CID 79536453
(2S)-2-[1-(azepan-2-yl)propan-2-ylamino]-2-phenylethanol
CID 107862315
1-phenyl-2-(1-pyrrolidin-2-ylpropan-2-ylamino)ethanol
CID 79540027
N-[1-(4-ethylphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79541259
N-[1-(2-chlorophenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79541521
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 81352833
N-[1-(3-propan-2-yloxyphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79537731
N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 81371157
N-[1-(furan-2-yl)ethyl]-1-piperidin-2-ylpropan-2-amine
CID 79549697
2-(1-pyrrolidin-2-ylpropan-2-ylamino)propanoic acid
CID 79540937

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-phenyl-N-(1-pyrrolidin-2-ylpropan-2-yl)butan-1-amine?
The IUPAC name of 2-ethyl-1-phenyl-N-(1-pyrrolidin-2-ylpropan-2-yl)butan-1-amine (CID 79538040) is 2-ethyl-1-phenyl-N-(1-pyrrolidin-2-ylpropan-2-yl)butan-1-amine.
What is the SMILES notation for 2-ethyl-1-phenyl-N-(1-pyrrolidin-2-ylpropan-2-yl)butan-1-amine?
The canonical SMILES for 2-ethyl-1-phenyl-N-(1-pyrrolidin-2-ylpropan-2-yl)butan-1-amine is CCC(CC)C(NC(C)CC1CCCN1)c1ccccc1.
What is the InChIKey of 2-ethyl-1-phenyl-N-(1-pyrrolidin-2-ylpropan-2-yl)butan-1-amine?
The InChIKey is LALOJTFFRTUYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-4-16(5-2)19(17-10-7-6-8-11-17)21-15(3)14-18-12-9-13-20-18/h6-8,10-11,15-16,18-21H,4-5,9,12-14H2,1-3H3.
What are the key properties of 2-ethyl-1-phenyl-N-(1-pyrrolidin-2-ylpropan-2-yl)butan-1-amine?
2-ethyl-1-phenyl-N-(1-pyrrolidin-2-ylpropan-2-yl)butan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.28, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-phenyl-N-(1-pyrrolidin-2-ylpropan-2-yl)butan-1-amine is sourced from PubChem (CID 79538040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).