2,2-dimethyl-1-phenyl-N'-[(1R)-1-phenylethyl]propane-1,3-diamine

C19H26N2 — CID 59975349

IUPAC2,2-dimethyl-1-phenyl-N'-[(1R)-1-phenylethyl]propane-1,3-diamine
SMILESC[C@@H](NCC(C)(C)C(N)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H26N2/c1-15(16-10-6-4-7-11-16)21-14-19(2,3)18(20)17-12-8-5-9-13-17/h4-13,15,18,21H,14,20H2,1-3H3/t15-,18?/m1/s1
InChIKeyGTMXTSOBMBIARK-NNJIEVJOSA-N
MW282.43 g/mol
LogP4.06
Rot. Bonds6

About 2,2-dimethyl-1-phenyl-N'-[(1R)-1-phenylethyl]propane-1,3-diamine

2,2-dimethyl-1-phenyl-N'-[(1R)-1-phenylethyl]propane-1,3-diamine (PubChem CID 59975349) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2,2-dimethyl-1-phenyl-N'-[(1R)-1-phenylethyl]propane-1,3-diamine.

Molecular Properties

Compound Name2,2-dimethyl-1-phenyl-N'-[(1R)-1-phenylethyl]propane-1,3-diamine
PubChem CID59975349
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name2,2-dimethyl-1-phenyl-N'-[(1R)-1-phenylethyl]propane-1,3-diamine
SMILESC[C@@H](NCC(C)(C)C(N)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H26N2/c1-15(16-10-6-4-7-11-16)21-14-19(2,3)18(20)17-12-8-5-9-13-17/h4-13,15,18,21H,14,20H2,1-3H3/t15-,18?/m1/s1
InChIKeyGTMXTSOBMBIARK-NNJIEVJOSA-N
XLogP4.06
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-phenyl-N'-[(1R)-1-phenylethyl]propane-1,3-diamine?
The IUPAC name of 2,2-dimethyl-1-phenyl-N'-[(1R)-1-phenylethyl]propane-1,3-diamine (CID 59975349) is 2,2-dimethyl-1-phenyl-N'-[(1R)-1-phenylethyl]propane-1,3-diamine.
What is the SMILES notation for 2,2-dimethyl-1-phenyl-N'-[(1R)-1-phenylethyl]propane-1,3-diamine?
The canonical SMILES for 2,2-dimethyl-1-phenyl-N'-[(1R)-1-phenylethyl]propane-1,3-diamine is C[C@@H](NCC(C)(C)C(N)c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-dimethyl-1-phenyl-N'-[(1R)-1-phenylethyl]propane-1,3-diamine?
The InChIKey is GTMXTSOBMBIARK-NNJIEVJOSA-N. The full InChI is InChI=1S/C19H26N2/c1-15(16-10-6-4-7-11-16)21-14-19(2,3)18(20)17-12-8-5-9-13-17/h4-13,15,18,21H,14,20H2,1-3H3/t15-,18?/m1/s1.
What are the key properties of 2,2-dimethyl-1-phenyl-N'-[(1R)-1-phenylethyl]propane-1,3-diamine?
2,2-dimethyl-1-phenyl-N'-[(1R)-1-phenylethyl]propane-1,3-diamine has a molecular weight of 282.43 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-phenyl-N'-[(1R)-1-phenylethyl]propane-1,3-diamine is sourced from PubChem (CID 59975349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).