(2R)-1-N-[(2R)-1-(methylamino)propan-2-yl]-3-phenyl-2-N-(2-phenylethyl)propane-1,2-diamine

C21H31N3 — CID 24792584

IUPAC(2R)-1-N-[(2R)-1-(methylamino)propan-2-yl]-3-phenyl-2-N-(2-phenylethyl)propane-1,2-diamine
SMILESCNC[C@@H](C)NC[C@@H](Cc1ccccc1)NCCc1ccccc1
InChIInChI=1S/C21H31N3/c1-18(16-22-2)24-17-21(15-20-11-7-4-8-12-20)23-14-13-19-9-5-3-6-10-19/h3-12,18,21-24H,13-17H2,1-2H3/t18-,21-/m1/s1
InChIKeyMYRWAYRWPCFSRY-WIYYLYMNSA-N
MW325.50 g/mol
LogP2.63
Rot. Bonds11

About (2R)-1-N-[(2R)-1-(methylamino)propan-2-yl]-3-phenyl-2-N-(2-phenylethyl)propane-1,2-diamine

(2R)-1-N-[(2R)-1-(methylamino)propan-2-yl]-3-phenyl-2-N-(2-phenylethyl)propane-1,2-diamine (PubChem CID 24792584) has the molecular formula C21H31N3 and a molecular weight of 325.50 g/mol. Its IUPAC name is (2R)-1-N-[(2R)-1-(methylamino)propan-2-yl]-3-phenyl-2-N-(2-phenylethyl)propane-1,2-diamine.

Molecular Properties

Compound Name(2R)-1-N-[(2R)-1-(methylamino)propan-2-yl]-3-phenyl-2-N-(2-phenylethyl)propane-1,2-diamine
PubChem CID24792584
Molecular FormulaC21H31N3
Molecular Weight325.50 g/mol
Exact Mass325.25
IUPAC Name(2R)-1-N-[(2R)-1-(methylamino)propan-2-yl]-3-phenyl-2-N-(2-phenylethyl)propane-1,2-diamine
SMILESCNC[C@@H](C)NC[C@@H](Cc1ccccc1)NCCc1ccccc1
InChIInChI=1S/C21H31N3/c1-18(16-22-2)24-17-21(15-20-11-7-4-8-12-20)23-14-13-19-9-5-3-6-10-19/h3-12,18,21-24H,13-17H2,1-2H3/t18-,21-/m1/s1
InChIKeyMYRWAYRWPCFSRY-WIYYLYMNSA-N
XLogP2.63
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-N-[(2R)-1-(methylamino)propan-2-yl]-3-phenyl-2-N-(2-phenylethyl)propane-1,2-diamine?
The IUPAC name of (2R)-1-N-[(2R)-1-(methylamino)propan-2-yl]-3-phenyl-2-N-(2-phenylethyl)propane-1,2-diamine (CID 24792584) is (2R)-1-N-[(2R)-1-(methylamino)propan-2-yl]-3-phenyl-2-N-(2-phenylethyl)propane-1,2-diamine.
What is the SMILES notation for (2R)-1-N-[(2R)-1-(methylamino)propan-2-yl]-3-phenyl-2-N-(2-phenylethyl)propane-1,2-diamine?
The canonical SMILES for (2R)-1-N-[(2R)-1-(methylamino)propan-2-yl]-3-phenyl-2-N-(2-phenylethyl)propane-1,2-diamine is CNC[C@@H](C)NC[C@@H](Cc1ccccc1)NCCc1ccccc1.
What is the InChIKey of (2R)-1-N-[(2R)-1-(methylamino)propan-2-yl]-3-phenyl-2-N-(2-phenylethyl)propane-1,2-diamine?
The InChIKey is MYRWAYRWPCFSRY-WIYYLYMNSA-N. The full InChI is InChI=1S/C21H31N3/c1-18(16-22-2)24-17-21(15-20-11-7-4-8-12-20)23-14-13-19-9-5-3-6-10-19/h3-12,18,21-24H,13-17H2,1-2H3/t18-,21-/m1/s1.
What are the key properties of (2R)-1-N-[(2R)-1-(methylamino)propan-2-yl]-3-phenyl-2-N-(2-phenylethyl)propane-1,2-diamine?
(2R)-1-N-[(2R)-1-(methylamino)propan-2-yl]-3-phenyl-2-N-(2-phenylethyl)propane-1,2-diamine has a molecular weight of 325.50 g/mol, XLogP of 2.63, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-N-[(2R)-1-(methylamino)propan-2-yl]-3-phenyl-2-N-(2-phenylethyl)propane-1,2-diamine is sourced from PubChem (CID 24792584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).