1-[[3-(4-methylphenoxy)phenyl]methyl]pyrrolidine

C18H21NO — CID 90725774

IUPAC1-[[3-(4-methylphenoxy)phenyl]methyl]pyrrolidine
SMILESCc1ccc(Oc2cccc(CN3CCCC3)c2)cc1
InChIInChI=1S/C18H21NO/c1-15-7-9-17(10-8-15)20-18-6-4-5-16(13-18)14-19-11-2-3-12-19/h4-10,13H,2-3,11-12,14H2,1H3
InChIKeyDYEZNNYPHKARBB-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.38
Rot. Bonds4

About 1-[[3-(4-methylphenoxy)phenyl]methyl]pyrrolidine

1-[[3-(4-methylphenoxy)phenyl]methyl]pyrrolidine (PubChem CID 90725774) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[[3-(4-methylphenoxy)phenyl]methyl]pyrrolidine.

Molecular Properties

Compound Name1-[[3-(4-methylphenoxy)phenyl]methyl]pyrrolidine
PubChem CID90725774
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name1-[[3-(4-methylphenoxy)phenyl]methyl]pyrrolidine
SMILESCc1ccc(Oc2cccc(CN3CCCC3)c2)cc1
InChIInChI=1S/C18H21NO/c1-15-7-9-17(10-8-15)20-18-6-4-5-16(13-18)14-19-11-2-3-12-19/h4-10,13H,2-3,11-12,14H2,1H3
InChIKeyDYEZNNYPHKARBB-UHFFFAOYSA-N
XLogP4.38
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[3-(piperidin-1-ylmethyl)phenoxy]phenyl]methanol
CID 68777108
N-[4-[3-(pyrrolidin-1-ylmethyl)phenoxy]phenyl]acetamide
CID 56716664
1-benzyl-4-[(3-phenoxyphenyl)methyl]piperazine
CID 1376909
1-(2-methylpropyl)-4-[(3-phenoxyphenyl)methyl]piperazine
CID 175322181
2-methyl-N-[3-[1-[[3-(4-methylphenoxy)phenyl]methyl]piperidin-4-yl]phenyl]propanamide
CID 16756522
1-[(4-methylphenyl)methyl]azepane
CID 3951815
1-[(3-methoxyphenyl)methyl]piperidine;phenylmethanamine
CID 174819320
(3S)-1-[[3-(4-chlorophenoxy)phenyl]methyl]piperidin-3-ol
CID 7439337
1-methyl-4-[3-(nitrosomethyl)phenoxy]benzene
CID 54002830
1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492
(2R)-1-[3-(piperidin-1-ylmethyl)phenoxy]propan-2-ol
CID 143915546
ethane;1-[(4-methylphenyl)methyl]piperidine
CID 143603243

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-methylphenoxy)phenyl]methyl]pyrrolidine?
The IUPAC name of 1-[[3-(4-methylphenoxy)phenyl]methyl]pyrrolidine (CID 90725774) is 1-[[3-(4-methylphenoxy)phenyl]methyl]pyrrolidine.
What is the SMILES notation for 1-[[3-(4-methylphenoxy)phenyl]methyl]pyrrolidine?
The canonical SMILES for 1-[[3-(4-methylphenoxy)phenyl]methyl]pyrrolidine is Cc1ccc(Oc2cccc(CN3CCCC3)c2)cc1.
What is the InChIKey of 1-[[3-(4-methylphenoxy)phenyl]methyl]pyrrolidine?
The InChIKey is DYEZNNYPHKARBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-15-7-9-17(10-8-15)20-18-6-4-5-16(13-18)14-19-11-2-3-12-19/h4-10,13H,2-3,11-12,14H2,1H3.
What are the key properties of 1-[[3-(4-methylphenoxy)phenyl]methyl]pyrrolidine?
1-[[3-(4-methylphenoxy)phenyl]methyl]pyrrolidine has a molecular weight of 267.37 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-methylphenoxy)phenyl]methyl]pyrrolidine is sourced from PubChem (CID 90725774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).