1-methyl-4-phenylmethoxypyrrolidin-3-amine

C12H18N2O — CID 126645177

IUPAC1-methyl-4-phenylmethoxypyrrolidin-3-amine
SMILESCN1CC(N)C(OCc2ccccc2)C1
InChIInChI=1S/C12H18N2O/c1-14-7-11(13)12(8-14)15-9-10-5-3-2-4-6-10/h2-6,11-12H,7-9,13H2,1H3
InChIKeySDKGDBKAVNCLMD-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.84
Rot. Bonds3

About 1-methyl-4-phenylmethoxypyrrolidin-3-amine

1-methyl-4-phenylmethoxypyrrolidin-3-amine (PubChem CID 126645177) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-methyl-4-phenylmethoxypyrrolidin-3-amine.

Molecular Properties

Compound Name1-methyl-4-phenylmethoxypyrrolidin-3-amine
PubChem CID126645177
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-methyl-4-phenylmethoxypyrrolidin-3-amine
SMILESCN1CC(N)C(OCc2ccccc2)C1
InChIInChI=1S/C12H18N2O/c1-14-7-11(13)12(8-14)15-9-10-5-3-2-4-6-10/h2-6,11-12H,7-9,13H2,1H3
InChIKeySDKGDBKAVNCLMD-UHFFFAOYSA-N
XLogP0.84
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-4-phenylmethoxy-1-propan-2-ylpyrrolidin-3-amine
CID 126644376
cis-(1S,2R)-2-phenylmethoxycyclobutan-1-amine
CID 10512782
3-phenylmethoxycyclopentane-1,2-diamine
CID 163363678
ethyl 4-amino-3-phenylmethoxypiperidine-1-carboxylate
CID 68628868
trans-(1R,2R)-2-phenylmethoxycyclopentan-1-amine;hydrobromide
CID 18681682
(4S,5R)-5-benzyl-1-methyl-4-phenylmethoxypyrrolidin-2-one
CID 11087728
azane;[(1R)-2-methylcyclopropyl]oxymethylbenzene
CID 66809677
1-methyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)pyrrolidine
CID 18426108
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
tert-butyl (3S,4R)-4-amino-3-phenylmethoxypiperidine-1-carboxylate
CID 91478771
(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
[(1R,2R)-2-methoxycyclopropyl]oxymethylbenzene
CID 163224715

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-phenylmethoxypyrrolidin-3-amine?
The IUPAC name of 1-methyl-4-phenylmethoxypyrrolidin-3-amine (CID 126645177) is 1-methyl-4-phenylmethoxypyrrolidin-3-amine.
What is the SMILES notation for 1-methyl-4-phenylmethoxypyrrolidin-3-amine?
The canonical SMILES for 1-methyl-4-phenylmethoxypyrrolidin-3-amine is CN1CC(N)C(OCc2ccccc2)C1.
What is the InChIKey of 1-methyl-4-phenylmethoxypyrrolidin-3-amine?
The InChIKey is SDKGDBKAVNCLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-14-7-11(13)12(8-14)15-9-10-5-3-2-4-6-10/h2-6,11-12H,7-9,13H2,1H3.
What are the key properties of 1-methyl-4-phenylmethoxypyrrolidin-3-amine?
1-methyl-4-phenylmethoxypyrrolidin-3-amine has a molecular weight of 206.29 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-phenylmethoxypyrrolidin-3-amine is sourced from PubChem (CID 126645177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).