1-phenyl-1-N'-[(1R)-1-phenylethyl]ethane-1,1-diamine

C16H20N2 — CID 134968939

IUPAC1-phenyl-1-N'-[(1R)-1-phenylethyl]ethane-1,1-diamine
SMILESC[C@@H](NC(C)(N)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H20N2/c1-13(14-9-5-3-6-10-14)18-16(2,17)15-11-7-4-8-12-15/h3-13,18H,17H2,1-2H3/t13-,16?/m1/s1
InChIKeyQWTBRBHQASWSPP-JBZHPUCOSA-N
MW240.35 g/mol
LogP3.17
Rot. Bonds4

About 1-phenyl-1-N'-[(1R)-1-phenylethyl]ethane-1,1-diamine

1-phenyl-1-N'-[(1R)-1-phenylethyl]ethane-1,1-diamine (PubChem CID 134968939) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-phenyl-1-N'-[(1R)-1-phenylethyl]ethane-1,1-diamine.

Molecular Properties

Compound Name1-phenyl-1-N'-[(1R)-1-phenylethyl]ethane-1,1-diamine
PubChem CID134968939
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name1-phenyl-1-N'-[(1R)-1-phenylethyl]ethane-1,1-diamine
SMILESC[C@@H](NC(C)(N)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H20N2/c1-13(14-9-5-3-6-10-14)18-16(2,17)15-11-7-4-8-12-15/h3-13,18H,17H2,1-2H3/t13-,16?/m1/s1
InChIKeyQWTBRBHQASWSPP-JBZHPUCOSA-N
XLogP3.17
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-N'-methyl-1-phenylethane-1,1-diamine
CID 143337584
2-methyl-2-(1-phenylethylamino)propan-1-ol
CID 60720568
(2S)-2-phenylbutane-2,3-diamine
CID 175403934
1-N'-tert-butyl-1-N-[(1R)-1-phenylethyl]ethane-1,1-diamine
CID 59070986
3-methoxy-2-methyl-2-N-(1-phenylethyl)butane-1,2-diamine
CID 113481742
2-phenyl-1-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 63868258
[(2S)-2,3-diphenylbutan-2-yl]hydrazine
CID 118682088
CID 174377533
CID 174377533
3-amino-2,2,3-trimethyl-N-(1-phenylethyl)butanamide
CID 65264623
2,2-diphenyl-N-(1-phenylethyl)propanamide
CID 2939416
4-methyl-4-phenyl-N-[(1R)-1-phenylethyl]pentan-2-amine
CID 81351069
N-(1,1-diphenylpropan-2-yl)-2-methylpropan-2-amine
CID 14902890

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1-N'-[(1R)-1-phenylethyl]ethane-1,1-diamine?
The IUPAC name of 1-phenyl-1-N'-[(1R)-1-phenylethyl]ethane-1,1-diamine (CID 134968939) is 1-phenyl-1-N'-[(1R)-1-phenylethyl]ethane-1,1-diamine.
What is the SMILES notation for 1-phenyl-1-N'-[(1R)-1-phenylethyl]ethane-1,1-diamine?
The canonical SMILES for 1-phenyl-1-N'-[(1R)-1-phenylethyl]ethane-1,1-diamine is C[C@@H](NC(C)(N)c1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenyl-1-N'-[(1R)-1-phenylethyl]ethane-1,1-diamine?
The InChIKey is QWTBRBHQASWSPP-JBZHPUCOSA-N. The full InChI is InChI=1S/C16H20N2/c1-13(14-9-5-3-6-10-14)18-16(2,17)15-11-7-4-8-12-15/h3-13,18H,17H2,1-2H3/t13-,16?/m1/s1.
What are the key properties of 1-phenyl-1-N'-[(1R)-1-phenylethyl]ethane-1,1-diamine?
1-phenyl-1-N'-[(1R)-1-phenylethyl]ethane-1,1-diamine has a molecular weight of 240.35 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-N'-[(1R)-1-phenylethyl]ethane-1,1-diamine is sourced from PubChem (CID 134968939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).