3-(2-methyl-4-phenylmethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-amine

C21H28N2O — CID 83937117

IUPAC3-(2-methyl-4-phenylmethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-amine
SMILESCc1cc(OCc2ccccc2)ccc1C(CCN)N1CCCC1
InChIInChI=1S/C21H28N2O/c1-17-15-19(24-16-18-7-3-2-4-8-18)9-10-20(17)21(11-12-22)23-13-5-6-14-23/h2-4,7-10,15,21H,5-6,11-14,16,22H2,1H3
InChIKeyCSEXAVZZXFOLNR-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.06
Rot. Bonds7

About 3-(2-methyl-4-phenylmethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-amine

3-(2-methyl-4-phenylmethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 83937117) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 3-(2-methyl-4-phenylmethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name3-(2-methyl-4-phenylmethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID83937117
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name3-(2-methyl-4-phenylmethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-amine
SMILESCc1cc(OCc2ccccc2)ccc1C(CCN)N1CCCC1
InChIInChI=1S/C21H28N2O/c1-17-15-19(24-16-18-7-3-2-4-8-18)9-10-20(17)21(11-12-22)23-13-5-6-14-23/h2-4,7-10,15,21H,5-6,11-14,16,22H2,1H3
InChIKeyCSEXAVZZXFOLNR-UHFFFAOYSA-N
XLogP4.06
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-methyl-4-(2-methylpropoxy)phenyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 83936988
2-(4-phenylmethoxyphenyl)-2-piperidin-1-ylethanamine
CID 16642929
cyclopropyl-(2-methyl-4-phenylmethoxyphenyl)methanamine
CID 4210839
(1S,2R)-2-amino-1-(2-methyl-4-phenylmethoxyphenyl)propan-1-ol
CID 139820128
3-(3-ethoxyphenyl)-3-piperidin-1-ylpropan-1-amine
CID 112509278
2-[(1R)-4-methyl-1-piperazin-1-ylpentyl]-5-phenylmethoxyphenol;dihydrochloride
CID 171311256
(1S)-1-(2-fluoro-4-phenylmethoxyphenyl)ethanamine
CID 107718661
2-methyl-4-phenylmethoxybenzenethiol
CID 142266616
1-amino-4-(2-methyl-4-phenylmethoxyphenyl)butan-2-ol
CID 83937170
1-ethynyl-2-methyl-4-phenylmethoxybenzene
CID 146673536
3-pyrrolidin-1-yl-3-(2,3,4-trimethoxyphenyl)propan-1-amine
CID 83934065
2-morpholin-4-yl-2-(4-phenylmethoxyphenyl)ethanamine
CID 16642933

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-4-phenylmethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of 3-(2-methyl-4-phenylmethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-amine (CID 83937117) is 3-(2-methyl-4-phenylmethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for 3-(2-methyl-4-phenylmethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for 3-(2-methyl-4-phenylmethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-amine is Cc1cc(OCc2ccccc2)ccc1C(CCN)N1CCCC1.
What is the InChIKey of 3-(2-methyl-4-phenylmethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is CSEXAVZZXFOLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-17-15-19(24-16-18-7-3-2-4-8-18)9-10-20(17)21(11-12-22)23-13-5-6-14-23/h2-4,7-10,15,21H,5-6,11-14,16,22H2,1H3.
What are the key properties of 3-(2-methyl-4-phenylmethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-amine?
3-(2-methyl-4-phenylmethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 324.47 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-4-phenylmethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 83937117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).