(2S)-2-(methoxymethyl)-N-[(3R)-4-methyl-1-phenylpentan-3-yl]pyrrolidin-1-amine

C18H30N2O — CID 135001015

IUPAC(2S)-2-(methoxymethyl)-N-[(3R)-4-methyl-1-phenylpentan-3-yl]pyrrolidin-1-amine
SMILESCOC[C@@H]1CCCN1N[C@H](CCc1ccccc1)C(C)C
InChIInChI=1S/C18H30N2O/c1-15(2)18(12-11-16-8-5-4-6-9-16)19-20-13-7-10-17(20)14-21-3/h4-6,8-9,15,17-19H,7,10-14H2,1-3H3/t17-,18+/m0/s1
InChIKeyWNHPXHMRDROKBL-ZWKOTPCHSA-N
MW290.45 g/mol
LogP3.26
Rot. Bonds8

About (2S)-2-(methoxymethyl)-N-[(3R)-4-methyl-1-phenylpentan-3-yl]pyrrolidin-1-amine

(2S)-2-(methoxymethyl)-N-[(3R)-4-methyl-1-phenylpentan-3-yl]pyrrolidin-1-amine (PubChem CID 135001015) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is (2S)-2-(methoxymethyl)-N-[(3R)-4-methyl-1-phenylpentan-3-yl]pyrrolidin-1-amine.

Molecular Properties

Compound Name(2S)-2-(methoxymethyl)-N-[(3R)-4-methyl-1-phenylpentan-3-yl]pyrrolidin-1-amine
PubChem CID135001015
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name(2S)-2-(methoxymethyl)-N-[(3R)-4-methyl-1-phenylpentan-3-yl]pyrrolidin-1-amine
SMILESCOC[C@@H]1CCCN1N[C@H](CCc1ccccc1)C(C)C
InChIInChI=1S/C18H30N2O/c1-15(2)18(12-11-16-8-5-4-6-9-16)19-20-13-7-10-17(20)14-21-3/h4-6,8-9,15,17-19H,7,10-14H2,1-3H3/t17-,18+/m0/s1
InChIKeyWNHPXHMRDROKBL-ZWKOTPCHSA-N
XLogP3.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(methoxymethyl)-N-[(2R)-4-phenylbutan-2-yl]pyrrolidin-1-amine
CID 135000070
(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
(2S)-N-[(3S,4R)-3-benzylsulfanyl-2-methyloctan-4-yl]-2-(methoxymethyl)pyrrolidin-1-amine
CID 11153167
2-(methoxymethyl)-N-phenylpyrrolidin-1-amine
CID 91183641
(2S)-N-[(2S,3R)-2-benzylsulfanyl-1-phenylheptan-3-yl]-2-(methoxymethyl)pyrrolidin-1-amine
CID 11235668
CID 10925908
CID 10925908
1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylthiourea
CID 135042441
(E,2S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylmethoxypropan-1-imine
CID 10956776
[(1R,2R)-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide
CID 87106744
(Z,2S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-3-phenylpropan-1-imine
CID 135050661
[(1R,2R)-3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide
CID 87107130

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methoxymethyl)-N-[(3R)-4-methyl-1-phenylpentan-3-yl]pyrrolidin-1-amine?
The IUPAC name of (2S)-2-(methoxymethyl)-N-[(3R)-4-methyl-1-phenylpentan-3-yl]pyrrolidin-1-amine (CID 135001015) is (2S)-2-(methoxymethyl)-N-[(3R)-4-methyl-1-phenylpentan-3-yl]pyrrolidin-1-amine.
What is the SMILES notation for (2S)-2-(methoxymethyl)-N-[(3R)-4-methyl-1-phenylpentan-3-yl]pyrrolidin-1-amine?
The canonical SMILES for (2S)-2-(methoxymethyl)-N-[(3R)-4-methyl-1-phenylpentan-3-yl]pyrrolidin-1-amine is COC[C@@H]1CCCN1N[C@H](CCc1ccccc1)C(C)C.
What is the InChIKey of (2S)-2-(methoxymethyl)-N-[(3R)-4-methyl-1-phenylpentan-3-yl]pyrrolidin-1-amine?
The InChIKey is WNHPXHMRDROKBL-ZWKOTPCHSA-N. The full InChI is InChI=1S/C18H30N2O/c1-15(2)18(12-11-16-8-5-4-6-9-16)19-20-13-7-10-17(20)14-21-3/h4-6,8-9,15,17-19H,7,10-14H2,1-3H3/t17-,18+/m0/s1.
What are the key properties of (2S)-2-(methoxymethyl)-N-[(3R)-4-methyl-1-phenylpentan-3-yl]pyrrolidin-1-amine?
(2S)-2-(methoxymethyl)-N-[(3R)-4-methyl-1-phenylpentan-3-yl]pyrrolidin-1-amine has a molecular weight of 290.45 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methoxymethyl)-N-[(3R)-4-methyl-1-phenylpentan-3-yl]pyrrolidin-1-amine is sourced from PubChem (CID 135001015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).