2-N-(2-benzylphenyl)-1-N-ethylbutane-1,2-diamine

C19H26N2 — CID 143127936

IUPAC2-N-(2-benzylphenyl)-1-N-ethylbutane-1,2-diamine
SMILESCCNCC(CC)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C19H26N2/c1-3-18(15-20-4-2)21-19-13-9-8-12-17(19)14-16-10-6-5-7-11-16/h5-13,18,20-21H,3-4,14-15H2,1-2H3
InChIKeyOWFHLNRDIUPFQX-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.08
Rot. Bonds8

About 2-N-(2-benzylphenyl)-1-N-ethylbutane-1,2-diamine

2-N-(2-benzylphenyl)-1-N-ethylbutane-1,2-diamine (PubChem CID 143127936) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-N-(2-benzylphenyl)-1-N-ethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-benzylphenyl)-1-N-ethylbutane-1,2-diamine
PubChem CID143127936
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name2-N-(2-benzylphenyl)-1-N-ethylbutane-1,2-diamine
SMILESCCNCC(CC)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C19H26N2/c1-3-18(15-20-4-2)21-19-13-9-8-12-17(19)14-16-10-6-5-7-11-16/h5-13,18,20-21H,3-4,14-15H2,1-2H3
InChIKeyOWFHLNRDIUPFQX-UHFFFAOYSA-N
XLogP4.08
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1-N-(2-benzylphenyl)-3-methylpentane-1,2-diamine
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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-benzylphenyl)-1-N-ethylbutane-1,2-diamine?
The IUPAC name of 2-N-(2-benzylphenyl)-1-N-ethylbutane-1,2-diamine (CID 143127936) is 2-N-(2-benzylphenyl)-1-N-ethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(2-benzylphenyl)-1-N-ethylbutane-1,2-diamine?
The canonical SMILES for 2-N-(2-benzylphenyl)-1-N-ethylbutane-1,2-diamine is CCNCC(CC)Nc1ccccc1Cc1ccccc1.
What is the InChIKey of 2-N-(2-benzylphenyl)-1-N-ethylbutane-1,2-diamine?
The InChIKey is OWFHLNRDIUPFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-3-18(15-20-4-2)21-19-13-9-8-12-17(19)14-16-10-6-5-7-11-16/h5-13,18,20-21H,3-4,14-15H2,1-2H3.
What are the key properties of 2-N-(2-benzylphenyl)-1-N-ethylbutane-1,2-diamine?
2-N-(2-benzylphenyl)-1-N-ethylbutane-1,2-diamine has a molecular weight of 282.43 g/mol, XLogP of 4.08, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-benzylphenyl)-1-N-ethylbutane-1,2-diamine is sourced from PubChem (CID 143127936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).