(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-amine

C18H22N2O — CID 14168767

IUPAC(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-amine
SMILESCOC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1N
InChIInChI=1S/C18H22N2O/c1-21-18(15-9-4-2-5-10-15,16-11-6-3-7-12-16)17-13-8-14-20(17)19/h2-7,9-12,17H,8,13-14,19H2,1H3/t17-/m0/s1
InChIKeyMLIIVMAVVSTERU-KRWDZBQOSA-N
MW282.39 g/mol
LogP2.91
Rot. Bonds4

About (2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-amine

(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-amine (PubChem CID 14168767) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is (2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-amine.

Molecular Properties

Compound Name(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-amine
PubChem CID14168767
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-amine
SMILESCOC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1N
InChIInChI=1S/C18H22N2O/c1-21-18(15-9-4-2-5-10-15,16-11-6-3-7-12-16)17-13-8-14-20(17)19/h2-7,9-12,17H,8,13-14,19H2,1H3/t17-/m0/s1
InChIKeyMLIIVMAVVSTERU-KRWDZBQOSA-N
XLogP2.91
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

Analyze (2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(S)-2-(Methoxydiphenylmethyl)pyrrolidine
CID 11694649
(R)-2-(Methoxydiphenylmethyl)pyrrolidine
CID 16218232
3-(Diphenylmethoxy)-1-(propan-2-yl)pyrrolidine--hydrogen chloride (1/1)
CID 203355
1-Sec-Butyl-3-(3,4-Difluorophenyl)-3-Methoxypyrrolidine
CID 46207641
(2R,3E)-1,1,1-trifluoro-3-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]imino-2-methylpropan-2-ol
CID 177556163
Ctk0J6719
CID 10661477
(2S,4S,5R)-3,4-dimethyl-5-phenyl-2-[(E)-2-phenylethenyl]-1,3-oxazolidine
CID 13068826
(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-amine
CID 11009092
2-[Methoxy(diphenyl)methyl]pyrrolidine
CID 53400887
3-methyl-2-phenyl-N-(1-phenylpropan-2-yl)morpholin-4-amine
CID 108517
3-(3,4-Difluorophenyl)-1-Isopropyl-3-Methoxypyrrolidine
CID 46207639
(2S)-2-[bis(3,5-dimethylphenyl)-methoxymethyl]pyrrolidine
CID 59628806

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-amine?
The IUPAC name of (2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-amine (CID 14168767) is (2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-amine.
What is the SMILES notation for (2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-amine?
The canonical SMILES for (2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-amine is COC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1N.
What is the InChIKey of (2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-amine?
The InChIKey is MLIIVMAVVSTERU-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H22N2O/c1-21-18(15-9-4-2-5-10-15,16-11-6-3-7-12-16)17-13-8-14-20(17)19/h2-7,9-12,17H,8,13-14,19H2,1H3/t17-/m0/s1.
What are the key properties of (2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-amine?
(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-amine has a molecular weight of 282.39 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-amine is sourced from PubChem (CID 14168767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).