1-N,1-N'-bis(2-phenylethyl)ethane-1,1-diamine

C18H24N2 — CID 141155075

IUPAC1-N,1-N'-bis(2-phenylethyl)ethane-1,1-diamine
SMILESCC(NCCc1ccccc1)NCCc1ccccc1
InChIInChI=1S/C18H24N2/c1-16(19-14-12-17-8-4-2-5-9-17)20-15-13-18-10-6-3-7-11-18/h2-11,16,19-20H,12-15H2,1H3
InChIKeyGKBIWAKXZHXDKK-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.00
Rot. Bonds8

About 1-N,1-N'-bis(2-phenylethyl)ethane-1,1-diamine

1-N,1-N'-bis(2-phenylethyl)ethane-1,1-diamine (PubChem CID 141155075) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-N,1-N'-bis(2-phenylethyl)ethane-1,1-diamine.

Molecular Properties

Compound Name1-N,1-N'-bis(2-phenylethyl)ethane-1,1-diamine
PubChem CID141155075
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name1-N,1-N'-bis(2-phenylethyl)ethane-1,1-diamine
SMILESCC(NCCc1ccccc1)NCCc1ccccc1
InChIInChI=1S/C18H24N2/c1-16(19-14-12-17-8-4-2-5-9-17)20-15-13-18-10-6-3-7-11-18/h2-11,16,19-20H,12-15H2,1H3
InChIKeyGKBIWAKXZHXDKK-UHFFFAOYSA-N
XLogP3.00
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.00
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-chloro-N-(2-phenylethyl)propan-2-amine
CID 65025735
(2R)-2-(2-phenylethylamino)propanoic acid
CID 83194551
5-methyl-N-(2-phenylethyl)hexan-2-amine
CID 43178595
(2S,3S)-3-methyl-N-(2-phenylethyl)pentan-2-amine
CID 28615648
3-ethyl-N-(2-phenylethyl)pentan-2-amine
CID 63844116
methane;2-methyl-1-phenyl-N-(2-phenylethyl)propan-1-amine
CID 70638594
1-cyclopropyl-N-(2-phenylethyl)ethanamine
CID 43178582
2-[1-(2-phenylethylamino)ethyl]phenol
CID 43194097
2-methyl-3-(2-phenylethylamino)butanoic acid
CID 79391507
1-phenyl-2-(2-phenylethylamino)propan-1-ol
CID 14813307
3-phenyl-N-propan-2-ylpropan-1-amine
CID 11412689
3-(2-phenylethylamino)butanethioamide
CID 112508005

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N'-bis(2-phenylethyl)ethane-1,1-diamine?
The IUPAC name of 1-N,1-N'-bis(2-phenylethyl)ethane-1,1-diamine (CID 141155075) is 1-N,1-N'-bis(2-phenylethyl)ethane-1,1-diamine.
What is the SMILES notation for 1-N,1-N'-bis(2-phenylethyl)ethane-1,1-diamine?
The canonical SMILES for 1-N,1-N'-bis(2-phenylethyl)ethane-1,1-diamine is CC(NCCc1ccccc1)NCCc1ccccc1.
What is the InChIKey of 1-N,1-N'-bis(2-phenylethyl)ethane-1,1-diamine?
The InChIKey is GKBIWAKXZHXDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-16(19-14-12-17-8-4-2-5-9-17)20-15-13-18-10-6-3-7-11-18/h2-11,16,19-20H,12-15H2,1H3.
What are the key properties of 1-N,1-N'-bis(2-phenylethyl)ethane-1,1-diamine?
1-N,1-N'-bis(2-phenylethyl)ethane-1,1-diamine has a molecular weight of 268.40 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N'-bis(2-phenylethyl)ethane-1,1-diamine is sourced from PubChem (CID 141155075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).