2-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-1-(4-propan-2-ylphenyl)ethanamine

C19H32N2 — CID 63469155

IUPAC2-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-1-(4-propan-2-ylphenyl)ethanamine
SMILESCCNC(CN1CCCC1(C)C)c1ccc(C(C)C)cc1
InChIInChI=1S/C19H32N2/c1-6-20-18(14-21-13-7-12-19(21,4)5)17-10-8-16(9-11-17)15(2)3/h8-11,15,18,20H,6-7,12-14H2,1-5H3
InChIKeyCGUODNLNLGIRCL-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.34
Rot. Bonds6

About 2-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-1-(4-propan-2-ylphenyl)ethanamine

2-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-1-(4-propan-2-ylphenyl)ethanamine (PubChem CID 63469155) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 2-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-1-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-1-(4-propan-2-ylphenyl)ethanamine
PubChem CID63469155
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name2-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-1-(4-propan-2-ylphenyl)ethanamine
SMILESCCNC(CN1CCCC1(C)C)c1ccc(C(C)C)cc1
InChIInChI=1S/C19H32N2/c1-6-20-18(14-21-13-7-12-19(21,4)5)17-10-8-16(9-11-17)15(2)3/h8-11,15,18,20H,6-7,12-14H2,1-5H3
InChIKeyCGUODNLNLGIRCL-UHFFFAOYSA-N
XLogP4.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,2-dimethylpyrrolidin-1-yl)-N-methyl-1-naphthalen-2-ylethanamine
CID 63219539
3-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine
CID 63218029
2-(4,4-dimethylazepan-1-yl)-N-ethyl-1-phenylethanamine
CID 65280974
2-(2,2-dimethylpyrrolidin-1-yl)-1-(4-fluorophenyl)ethanamine
CID 107521139
N,3-diethyl-1-(4-propan-2-ylphenyl)pentan-1-amine
CID 82920734
N-ethyl-1-(4-propan-2-ylphenyl)but-3-en-1-amine
CID 61380125
1-(3-bromo-2-phenylpropyl)-2,2-dimethylpyrrolidine
CID 65015121
1-[2-(ethylamino)-2-(4-propan-2-ylphenyl)ethyl]-4-methylpyrrolidin-2-one
CID 63103731
(2R)-1-(2,2-dimethylpyrrolidin-1-yl)butan-2-ol
CID 130161383
N-ethyl-2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylphenyl)ethanamine
CID 63412218
1-(3-chlorophenyl)-3-(2,2-dimethylpyrrolidin-1-yl)-N-propylpropan-1-amine
CID 63494166
2-(cyclopentylmethylsulfanyl)-N-ethyl-1-(4-propan-2-ylphenyl)ethanamine
CID 64626807

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-1-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of 2-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-1-(4-propan-2-ylphenyl)ethanamine (CID 63469155) is 2-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-1-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for 2-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-1-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for 2-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-1-(4-propan-2-ylphenyl)ethanamine is CCNC(CN1CCCC1(C)C)c1ccc(C(C)C)cc1.
What is the InChIKey of 2-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-1-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is CGUODNLNLGIRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-6-20-18(14-21-13-7-12-19(21,4)5)17-10-8-16(9-11-17)15(2)3/h8-11,15,18,20H,6-7,12-14H2,1-5H3.
What are the key properties of 2-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-1-(4-propan-2-ylphenyl)ethanamine?
2-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-1-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 288.48 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-1-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 63469155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).