1-[(2R)-2-(3-methylbutoxy)-2-phenylethyl]pyrrolidine;hydrochloride

C17H28ClNO — CID 76969625

IUPAC1-[(2R)-2-(3-methylbutoxy)-2-phenylethyl]pyrrolidine;hydrochloride
SMILESCC(C)CCO[C@@H](CN1CCCC1)c1ccccc1.Cl
InChIInChI=1S/C17H27NO.ClH/c1-15(2)10-13-19-17(14-18-11-6-7-12-18)16-8-4-3-5-9-16;/h3-5,8-9,15,17H,6-7,10-14H2,1-2H3;1H/t17-;/m0./s1
InChIKeyJTYOCYCDZSVPAX-LMOVPXPDSA-N
MW297.87 g/mol
LogP4.31
Rot. Bonds7

About 1-[(2R)-2-(3-methylbutoxy)-2-phenylethyl]pyrrolidine;hydrochloride

1-[(2R)-2-(3-methylbutoxy)-2-phenylethyl]pyrrolidine;hydrochloride (PubChem CID 76969625) has the molecular formula C17H28ClNO and a molecular weight of 297.87 g/mol. Its IUPAC name is 1-[(2R)-2-(3-methylbutoxy)-2-phenylethyl]pyrrolidine;hydrochloride.

Molecular Properties

Compound Name1-[(2R)-2-(3-methylbutoxy)-2-phenylethyl]pyrrolidine;hydrochloride
PubChem CID76969625
Molecular FormulaC17H28ClNO
Molecular Weight297.87 g/mol
Exact Mass297.19
IUPAC Name1-[(2R)-2-(3-methylbutoxy)-2-phenylethyl]pyrrolidine;hydrochloride
SMILESCC(C)CCO[C@@H](CN1CCCC1)c1ccccc1.Cl
InChIInChI=1S/C17H27NO.ClH/c1-15(2)10-13-19-17(14-18-11-6-7-12-18)16-8-4-3-5-9-16;/h3-5,8-9,15,17H,6-7,10-14H2,1-2H3;1H/t17-;/m0./s1
InChIKeyJTYOCYCDZSVPAX-LMOVPXPDSA-N
XLogP4.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.87
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(2R)-2-(3-methylbutoxy)-2-phenylethyl]pyrrolidine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[(2-methylpropan-2-yl)oxy]-2-phenylethyl]pyrrolidine
CID 58172305
2-methyl-N-[2-(3-methylbutoxy)-2-phenylethyl]propan-1-amine
CID 55077407
[2-(azepan-1-yl)-1-phenylethyl] acetate
CID 3115187
N-[2-phenyl-2-(2-piperidin-1-ylethoxy)ethyl]propan-2-amine
CID 62458613
1-[2-butoxy-2-(4-methylphenyl)ethyl]piperidine
CID 21127479
N-(2-methoxy-1-phenylethyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 103464122
[(1S)-1-phenyl-2-piperidin-1-ylethyl] benzoate
CID 177441507
3-(4-methoxyphenyl)-6-methyl-2-phenyl-1-piperidin-1-ylheptan-3-ol;hydrochloride
CID 146052045
1-(2-phenylpropoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride
CID 2988766
(1R)-N-(2-ethoxyethyl)-1-phenyl-2-piperidin-1-ylethanamine
CID 89003231
1-[(2R)-2-phenoxypropyl]pyrrolidine
CID 142952831
methyl-[(1R,2S)-2-methyl-1-phenyl-3-pyrrolidin-1-ylpropyl]azanide
CID 87106535

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(3-methylbutoxy)-2-phenylethyl]pyrrolidine;hydrochloride?
The IUPAC name of 1-[(2R)-2-(3-methylbutoxy)-2-phenylethyl]pyrrolidine;hydrochloride (CID 76969625) is 1-[(2R)-2-(3-methylbutoxy)-2-phenylethyl]pyrrolidine;hydrochloride.
What is the SMILES notation for 1-[(2R)-2-(3-methylbutoxy)-2-phenylethyl]pyrrolidine;hydrochloride?
The canonical SMILES for 1-[(2R)-2-(3-methylbutoxy)-2-phenylethyl]pyrrolidine;hydrochloride is CC(C)CCO[C@@H](CN1CCCC1)c1ccccc1.Cl.
What is the InChIKey of 1-[(2R)-2-(3-methylbutoxy)-2-phenylethyl]pyrrolidine;hydrochloride?
The InChIKey is JTYOCYCDZSVPAX-LMOVPXPDSA-N. The full InChI is InChI=1S/C17H27NO.ClH/c1-15(2)10-13-19-17(14-18-11-6-7-12-18)16-8-4-3-5-9-16;/h3-5,8-9,15,17H,6-7,10-14H2,1-2H3;1H/t17-;/m0./s1.
What are the key properties of 1-[(2R)-2-(3-methylbutoxy)-2-phenylethyl]pyrrolidine;hydrochloride?
1-[(2R)-2-(3-methylbutoxy)-2-phenylethyl]pyrrolidine;hydrochloride has a molecular weight of 297.87 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(3-methylbutoxy)-2-phenylethyl]pyrrolidine;hydrochloride is sourced from PubChem (CID 76969625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).