1-N-(2-benzhydryloxyethyl)pentane-1,4-diamine

C20H28N2O — CID 57070167

IUPAC1-N-(2-benzhydryloxyethyl)pentane-1,4-diamine
SMILESCC(N)CCCNCCOC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H28N2O/c1-17(21)9-8-14-22-15-16-23-20(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-7,10-13,17,20,22H,8-9,14-16,21H2,1H3
InChIKeyFIPSMSIKHRNKJC-UHFFFAOYSA-N
MW312.46 g/mol
LogP3.51
Rot. Bonds10

About 1-N-(2-benzhydryloxyethyl)pentane-1,4-diamine

1-N-(2-benzhydryloxyethyl)pentane-1,4-diamine (PubChem CID 57070167) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is 1-N-(2-benzhydryloxyethyl)pentane-1,4-diamine.

Molecular Properties

Compound Name1-N-(2-benzhydryloxyethyl)pentane-1,4-diamine
PubChem CID57070167
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name1-N-(2-benzhydryloxyethyl)pentane-1,4-diamine
SMILESCC(N)CCCNCCOC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H28N2O/c1-17(21)9-8-14-22-15-16-23-20(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-7,10-13,17,20,22H,8-9,14-16,21H2,1H3
InChIKeyFIPSMSIKHRNKJC-UHFFFAOYSA-N
XLogP3.51
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(2-benzhydryloxyethyl)ethane-1,2-diamine
CID 57024547
N'-[2-[(4-tert-butylphenyl)-phenylmethoxy]ethyl]ethane-1,2-diamine
CID 171986728
(2R)-1-(2-benzhydryloxyethylamino)propan-2-ol
CID 97355382
3-(4-methylphenyl)-N-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]propan-1-amine
CID 121338178
N-(3-benzhydryloxypropyl)-3-phenylpropan-1-amine
CID 86174020
3-benzhydryloxy-N-propan-2-ylpropan-1-amine
CID 163865412
2-ethoxy-N-[2-(1-phenylethoxy)ethyl]ethanamine
CID 62566170
[2-[2-[2-(2-benzhydryloxyethylamino)ethylsulfanylsulfonyloxy]ethylamino]ethoxy-phenylmethyl]benzene
CID 21128167
N'-[2-[bis(4-fluorophenyl)methoxy]ethyl]-N-(2-phenylethyl)propane-1,3-diamine
CID 10788465
N-(2-benzhydryloxyethyl)-2-phenoxyethanamine;oxalic acid
CID 155529314
N-[2-(1-phenylethoxy)ethyl]propan-1-amine
CID 62444581
[3-methylpentoxy(phenyl)methyl]benzene
CID 123899731

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-benzhydryloxyethyl)pentane-1,4-diamine?
The IUPAC name of 1-N-(2-benzhydryloxyethyl)pentane-1,4-diamine (CID 57070167) is 1-N-(2-benzhydryloxyethyl)pentane-1,4-diamine.
What is the SMILES notation for 1-N-(2-benzhydryloxyethyl)pentane-1,4-diamine?
The canonical SMILES for 1-N-(2-benzhydryloxyethyl)pentane-1,4-diamine is CC(N)CCCNCCOC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-N-(2-benzhydryloxyethyl)pentane-1,4-diamine?
The InChIKey is FIPSMSIKHRNKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c1-17(21)9-8-14-22-15-16-23-20(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-7,10-13,17,20,22H,8-9,14-16,21H2,1H3.
What are the key properties of 1-N-(2-benzhydryloxyethyl)pentane-1,4-diamine?
1-N-(2-benzhydryloxyethyl)pentane-1,4-diamine has a molecular weight of 312.46 g/mol, XLogP of 3.51, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-benzhydryloxyethyl)pentane-1,4-diamine is sourced from PubChem (CID 57070167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).