(2S)-2-(methoxymethyl)-N-[(2R)-4-phenylbutan-2-yl]pyrrolidin-1-amine

C16H26N2O — CID 135000070

IUPAC(2S)-2-(methoxymethyl)-N-[(2R)-4-phenylbutan-2-yl]pyrrolidin-1-amine
SMILESCOC[C@@H]1CCCN1N[C@H](C)CCc1ccccc1
InChIInChI=1S/C16H26N2O/c1-14(10-11-15-7-4-3-5-8-15)17-18-12-6-9-16(18)13-19-2/h3-5,7-8,14,16-17H,6,9-13H2,1-2H3/t14-,16+/m1/s1
InChIKeyDWYKCBLVTUVEIX-ZBFHGGJFSA-N
MW262.40 g/mol
LogP2.62
Rot. Bonds7

About (2S)-2-(methoxymethyl)-N-[(2R)-4-phenylbutan-2-yl]pyrrolidin-1-amine

(2S)-2-(methoxymethyl)-N-[(2R)-4-phenylbutan-2-yl]pyrrolidin-1-amine (PubChem CID 135000070) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is (2S)-2-(methoxymethyl)-N-[(2R)-4-phenylbutan-2-yl]pyrrolidin-1-amine.

Molecular Properties

Compound Name(2S)-2-(methoxymethyl)-N-[(2R)-4-phenylbutan-2-yl]pyrrolidin-1-amine
PubChem CID135000070
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name(2S)-2-(methoxymethyl)-N-[(2R)-4-phenylbutan-2-yl]pyrrolidin-1-amine
SMILESCOC[C@@H]1CCCN1N[C@H](C)CCc1ccccc1
InChIInChI=1S/C16H26N2O/c1-14(10-11-15-7-4-3-5-8-15)17-18-12-6-9-16(18)13-19-2/h3-5,7-8,14,16-17H,6,9-13H2,1-2H3/t14-,16+/m1/s1
InChIKeyDWYKCBLVTUVEIX-ZBFHGGJFSA-N
XLogP2.62
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(methoxymethyl)-N-[(3R)-4-methyl-1-phenylpentan-3-yl]pyrrolidin-1-amine
CID 135001015
(2S)-N-[(1R)-1,3-diphenylpropyl]-2-(methoxymethyl)pyrrolidin-1-amine
CID 134924028
(2S)-N-[(3S,4R)-3-benzylsulfanyl-1-phenyloctan-4-yl]-2-(methoxymethyl)pyrrolidin-1-amine
CID 11247681
2-(methoxymethyl)-N-phenylpyrrolidin-1-amine
CID 91183641
(2S)-N-[(3S,4R)-3-benzylsulfanyl-2-methyloctan-4-yl]-2-(methoxymethyl)pyrrolidin-1-amine
CID 11153167
CID 10925908
CID 10925908
(2S)-N-[(2S,3R)-2-benzylsulfanyl-1-phenylheptan-3-yl]-2-(methoxymethyl)pyrrolidin-1-amine
CID 11235668
1-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-methyl-3-(4-phenylbutan-2-yl)guanidine
CID 111171875
1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylthiourea
CID 135042441
1-methyl-N-(4-phenylbutan-2-yl)piperidin-3-amine
CID 61210453
(E,2S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylmethoxypropan-1-imine
CID 10956776
CID 10875591
CID 10875591

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methoxymethyl)-N-[(2R)-4-phenylbutan-2-yl]pyrrolidin-1-amine?
The IUPAC name of (2S)-2-(methoxymethyl)-N-[(2R)-4-phenylbutan-2-yl]pyrrolidin-1-amine (CID 135000070) is (2S)-2-(methoxymethyl)-N-[(2R)-4-phenylbutan-2-yl]pyrrolidin-1-amine.
What is the SMILES notation for (2S)-2-(methoxymethyl)-N-[(2R)-4-phenylbutan-2-yl]pyrrolidin-1-amine?
The canonical SMILES for (2S)-2-(methoxymethyl)-N-[(2R)-4-phenylbutan-2-yl]pyrrolidin-1-amine is COC[C@@H]1CCCN1N[C@H](C)CCc1ccccc1.
What is the InChIKey of (2S)-2-(methoxymethyl)-N-[(2R)-4-phenylbutan-2-yl]pyrrolidin-1-amine?
The InChIKey is DWYKCBLVTUVEIX-ZBFHGGJFSA-N. The full InChI is InChI=1S/C16H26N2O/c1-14(10-11-15-7-4-3-5-8-15)17-18-12-6-9-16(18)13-19-2/h3-5,7-8,14,16-17H,6,9-13H2,1-2H3/t14-,16+/m1/s1.
What are the key properties of (2S)-2-(methoxymethyl)-N-[(2R)-4-phenylbutan-2-yl]pyrrolidin-1-amine?
(2S)-2-(methoxymethyl)-N-[(2R)-4-phenylbutan-2-yl]pyrrolidin-1-amine has a molecular weight of 262.40 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methoxymethyl)-N-[(2R)-4-phenylbutan-2-yl]pyrrolidin-1-amine is sourced from PubChem (CID 135000070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).