[1-[3-(ethylamino)-3-phenylpropyl]-3-methylpyrrolidin-2-yl]methanol

C17H28N2O — CID 102789593

IUPAC[1-[3-(ethylamino)-3-phenylpropyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCCNC(CCN1CCC(C)C1CO)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-3-18-16(15-7-5-4-6-8-15)10-12-19-11-9-14(2)17(19)13-20/h4-8,14,16-18,20H,3,9-13H2,1-2H3
InChIKeyGMPJHJSVQSRYEJ-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.43
Rot. Bonds7

About [1-[3-(ethylamino)-3-phenylpropyl]-3-methylpyrrolidin-2-yl]methanol

[1-[3-(ethylamino)-3-phenylpropyl]-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102789593) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is [1-[3-(ethylamino)-3-phenylpropyl]-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[3-(ethylamino)-3-phenylpropyl]-3-methylpyrrolidin-2-yl]methanol
PubChem CID102789593
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name[1-[3-(ethylamino)-3-phenylpropyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCCNC(CCN1CCC(C)C1CO)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-3-18-16(15-7-5-4-6-8-15)10-12-19-11-9-14(2)17(19)13-20/h4-8,14,16-18,20H,3,9-13H2,1-2H3
InChIKeyGMPJHJSVQSRYEJ-UHFFFAOYSA-N
XLogP2.43
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-(3-methoxy-4-methylpiperidin-1-yl)-1-phenylpropan-1-amine
CID 102967163
N-ethyl-1-phenyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine
CID 114539589
1-(3-chlorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propan-1-ol
CID 102789664
N-ethyl-3-[4-(methoxymethyl)piperidin-1-yl]-1-phenylpropan-1-amine
CID 63971237
[1-[3-amino-3-(3-fluorophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol
CID 102789596
(1-benzyl-3-methylpyrrolidin-2-yl)methanol
CID 78022490
[1-[3-amino-3-(2-bromophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol
CID 102789551
[1-[3-(ethylamino)-3-(4-fluorophenyl)propyl]pyrrolidin-2-yl]methanol
CID 62645062
[1-[3-(ethylamino)-3-(3-fluorophenyl)propyl]pyrrolidin-2-yl]methanol
CID 62644713
N-ethyl-1-(4-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine
CID 62613985
1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]-4-methylpiperidin-3-ol
CID 102966955
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-ethyl-1-phenylethanamine
CID 82746306

Frequently Asked Questions

What is the IUPAC name of [1-[3-(ethylamino)-3-phenylpropyl]-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-[3-(ethylamino)-3-phenylpropyl]-3-methylpyrrolidin-2-yl]methanol (CID 102789593) is [1-[3-(ethylamino)-3-phenylpropyl]-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[3-(ethylamino)-3-phenylpropyl]-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[3-(ethylamino)-3-phenylpropyl]-3-methylpyrrolidin-2-yl]methanol is CCNC(CCN1CCC(C)C1CO)c1ccccc1.
What is the InChIKey of [1-[3-(ethylamino)-3-phenylpropyl]-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is GMPJHJSVQSRYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-18-16(15-7-5-4-6-8-15)10-12-19-11-9-14(2)17(19)13-20/h4-8,14,16-18,20H,3,9-13H2,1-2H3.
What are the key properties of [1-[3-(ethylamino)-3-phenylpropyl]-3-methylpyrrolidin-2-yl]methanol?
[1-[3-(ethylamino)-3-phenylpropyl]-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 276.42 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(ethylamino)-3-phenylpropyl]-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102789593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).