(2R)-2-(4-phenylmethoxyphenyl)pyrrolidine;hydrochloride

C17H20ClNO — CID 171196054

IUPAC(2R)-2-(4-phenylmethoxyphenyl)pyrrolidine;hydrochloride
SMILESCl.c1ccc(COc2ccc([C@H]3CCCN3)cc2)cc1
InChIInChI=1S/C17H19NO.ClH/c1-2-5-14(6-3-1)13-19-16-10-8-15(9-11-16)17-7-4-12-18-17;/h1-3,5-6,8-11,17-18H,4,7,12-13H2;1H/t17-;/m1./s1
InChIKeyDAJVPPLNSUYKFI-UNTBIKODSA-N
MW289.81 g/mol
LogP4.11
Rot. Bonds4

About (2R)-2-(4-phenylmethoxyphenyl)pyrrolidine;hydrochloride

(2R)-2-(4-phenylmethoxyphenyl)pyrrolidine;hydrochloride (PubChem CID 171196054) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is (2R)-2-(4-phenylmethoxyphenyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(4-phenylmethoxyphenyl)pyrrolidine;hydrochloride
PubChem CID171196054
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name(2R)-2-(4-phenylmethoxyphenyl)pyrrolidine;hydrochloride
SMILESCl.c1ccc(COc2ccc([C@H]3CCCN3)cc2)cc1
InChIInChI=1S/C17H19NO.ClH/c1-2-5-14(6-3-1)13-19-16-10-8-15(9-11-16)17-7-4-12-18-17;/h1-3,5-6,8-11,17-18H,4,7,12-13H2;1H/t17-;/m1./s1
InChIKeyDAJVPPLNSUYKFI-UNTBIKODSA-N
XLogP4.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-phenylmethoxyphenyl)pyrrolidine;hydrochloride
CID 171196463
(2S)-2-(4-phenylmethoxyphenyl)azetidine;hydrochloride
CID 171196929
5-phenylmethoxy-2-[(2R)-pyrrolidin-2-yl]phenol
CID 171196134
5-phenylmethoxy-2-[(2S)-pyrrolidin-2-yl]phenol
CID 171196544
(2R)-2-(4-benzylphenyl)pyrrolidine
CID 66519680
(2R,5S)-5-methyl-2-(4-phenylmethoxyphenyl)piperidine
CID 169114961
4-(4-phenylmethoxyphenyl)-2-pyrrolidin-2-yl-1,3-thiazole
CID 113229452
2-[4-(2-methylpropoxy)phenyl]pyrrolidine
CID 77131626
(4-phenylmethoxyphenyl)-pyrrolidin-2-ylmethanone
CID 82550160
(2R)-2-(4-methoxy-3-phenylmethoxyphenyl)piperidine
CID 171195670
(2S)-2-(3-ethoxy-4-phenylmethoxyphenyl)piperidine
CID 171195092
3-(4-phenylmethoxyphenoxy)pyrrolidine;hydrochloride
CID 18357130

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-phenylmethoxyphenyl)pyrrolidine;hydrochloride?
The IUPAC name of (2R)-2-(4-phenylmethoxyphenyl)pyrrolidine;hydrochloride (CID 171196054) is (2R)-2-(4-phenylmethoxyphenyl)pyrrolidine;hydrochloride.
What is the SMILES notation for (2R)-2-(4-phenylmethoxyphenyl)pyrrolidine;hydrochloride?
The canonical SMILES for (2R)-2-(4-phenylmethoxyphenyl)pyrrolidine;hydrochloride is Cl.c1ccc(COc2ccc([C@H]3CCCN3)cc2)cc1.
What is the InChIKey of (2R)-2-(4-phenylmethoxyphenyl)pyrrolidine;hydrochloride?
The InChIKey is DAJVPPLNSUYKFI-UNTBIKODSA-N. The full InChI is InChI=1S/C17H19NO.ClH/c1-2-5-14(6-3-1)13-19-16-10-8-15(9-11-16)17-7-4-12-18-17;/h1-3,5-6,8-11,17-18H,4,7,12-13H2;1H/t17-;/m1./s1.
What are the key properties of (2R)-2-(4-phenylmethoxyphenyl)pyrrolidine;hydrochloride?
(2R)-2-(4-phenylmethoxyphenyl)pyrrolidine;hydrochloride has a molecular weight of 289.81 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-phenylmethoxyphenyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 171196054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).