(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'}

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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).