N'-[2-[bis(4-fluorophenyl)methoxy]ethyl]-N-(2-phenylethyl)propane-1,3-diamine

C26H30F2N2O — CID 10788465

IUPACN'-[2-[bis(4-fluorophenyl)methoxy]ethyl]-N-(2-phenylethyl)propane-1,3-diamine
SMILESFc1ccc(C(OCCNCCCNCCc2ccccc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C26H30F2N2O/c27-24-11-7-22(8-12-24)26(23-9-13-25(28)14-10-23)31-20-19-30-17-4-16-29-18-15-21-5-2-1-3-6-21/h1-3,5-14,26,29-30H,4,15-20H2
InChIKeyAFTYGKFAHDIZJA-UHFFFAOYSA-N
MW424.54 g/mol
LogP4.88
Rot. Bonds13

About N'-[2-[bis(4-fluorophenyl)methoxy]ethyl]-N-(2-phenylethyl)propane-1,3-diamine

N'-[2-[bis(4-fluorophenyl)methoxy]ethyl]-N-(2-phenylethyl)propane-1,3-diamine (PubChem CID 10788465) has the molecular formula C26H30F2N2O and a molecular weight of 424.54 g/mol. Its IUPAC name is N'-[2-[bis(4-fluorophenyl)methoxy]ethyl]-N-(2-phenylethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-[bis(4-fluorophenyl)methoxy]ethyl]-N-(2-phenylethyl)propane-1,3-diamine
PubChem CID10788465
Molecular FormulaC26H30F2N2O
Molecular Weight424.54 g/mol
Exact Mass424.23
IUPAC NameN'-[2-[bis(4-fluorophenyl)methoxy]ethyl]-N-(2-phenylethyl)propane-1,3-diamine
SMILESFc1ccc(C(OCCNCCCNCCc2ccccc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C26H30F2N2O/c27-24-11-7-22(8-12-24)26(23-9-13-25(28)14-10-23)31-20-19-30-17-4-16-29-18-15-21-5-2-1-3-6-21/h1-3,5-14,26,29-30H,4,15-20H2
InChIKeyAFTYGKFAHDIZJA-UHFFFAOYSA-N
XLogP4.88
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 54.88
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-[bis(4-fluorophenyl)methoxy]ethyl]-2-phenylethanamine;(Z)-but-2-enedioic acid
CID 20839307
N-(3-benzhydryloxypropyl)-3-phenylpropan-1-amine
CID 86174020
3-(4-methylphenyl)-N-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]propan-1-amine
CID 121338178
N'-(2-benzhydryloxyethyl)ethane-1,2-diamine
CID 57024547
N-[[(2S)-1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrolidin-2-yl]methyl]-3-phenylpropan-1-amine
CID 10600218
3-benzhydryloxypropylbenzene
CID 11255103
N-(2-phenylethyl)-3-propan-2-yloxypropan-1-amine;hydrochloride
CID 17207061
1-N-(2-benzhydryloxyethyl)pentane-1,4-diamine
CID 57070167
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine;sulfuric acid
CID 10239703
N,N'-bis(2-phenylethyl)octane-1,8-diamine;dihydrobromide
CID 3029610
3-phenyl-N-(2-phenylethyl)propan-1-amine;hydrochloride
CID 54603294
N,N'-bis(2-phenylethyl)heptane-1,7-diamine;dihydrobromide
CID 3028511

Frequently Asked Questions

What is the IUPAC name of N'-[2-[bis(4-fluorophenyl)methoxy]ethyl]-N-(2-phenylethyl)propane-1,3-diamine?
The IUPAC name of N'-[2-[bis(4-fluorophenyl)methoxy]ethyl]-N-(2-phenylethyl)propane-1,3-diamine (CID 10788465) is N'-[2-[bis(4-fluorophenyl)methoxy]ethyl]-N-(2-phenylethyl)propane-1,3-diamine.
What is the SMILES notation for N'-[2-[bis(4-fluorophenyl)methoxy]ethyl]-N-(2-phenylethyl)propane-1,3-diamine?
The canonical SMILES for N'-[2-[bis(4-fluorophenyl)methoxy]ethyl]-N-(2-phenylethyl)propane-1,3-diamine is Fc1ccc(C(OCCNCCCNCCc2ccccc2)c2ccc(F)cc2)cc1.
What is the InChIKey of N'-[2-[bis(4-fluorophenyl)methoxy]ethyl]-N-(2-phenylethyl)propane-1,3-diamine?
The InChIKey is AFTYGKFAHDIZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F2N2O/c27-24-11-7-22(8-12-24)26(23-9-13-25(28)14-10-23)31-20-19-30-17-4-16-29-18-15-21-5-2-1-3-6-21/h1-3,5-14,26,29-30H,4,15-20H2.
What are the key properties of N'-[2-[bis(4-fluorophenyl)methoxy]ethyl]-N-(2-phenylethyl)propane-1,3-diamine?
N'-[2-[bis(4-fluorophenyl)methoxy]ethyl]-N-(2-phenylethyl)propane-1,3-diamine has a molecular weight of 424.54 g/mol, XLogP of 4.88, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[bis(4-fluorophenyl)methoxy]ethyl]-N-(2-phenylethyl)propane-1,3-diamine is sourced from PubChem (CID 10788465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).