N-ethyl-N'-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]propane-1,3-diamine;dihydrochloride

C19H27Cl2FN2O — CID 17215455

IUPACN-ethyl-N'-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]propane-1,3-diamine;dihydrochloride
SMILESCCNCCCNCc1ccccc1OCc1ccccc1F.Cl.Cl
InChIInChI=1S/C19H25FN2O.2ClH/c1-2-21-12-7-13-22-14-16-8-4-6-11-19(16)23-15-17-9-3-5-10-18(17)20;;/h3-6,8-11,21-22H,2,7,12-15H2,1H3;2*1H
InChIKeyVNSBPBKYEJOCFU-UHFFFAOYSA-N
MW389.34 g/mol
LogP4.34
Rot. Bonds10

About N-ethyl-N'-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]propane-1,3-diamine;dihydrochloride

N-ethyl-N'-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]propane-1,3-diamine;dihydrochloride (PubChem CID 17215455) has the molecular formula C19H27Cl2FN2O and a molecular weight of 389.34 g/mol. Its IUPAC name is N-ethyl-N'-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]propane-1,3-diamine;dihydrochloride.

Molecular Properties

Compound NameN-ethyl-N'-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]propane-1,3-diamine;dihydrochloride
PubChem CID17215455
Molecular FormulaC19H27Cl2FN2O
Molecular Weight389.34 g/mol
Exact Mass388.15
IUPAC NameN-ethyl-N'-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]propane-1,3-diamine;dihydrochloride
SMILESCCNCCCNCc1ccccc1OCc1ccccc1F.Cl.Cl
InChIInChI=1S/C19H25FN2O.2ClH/c1-2-21-12-7-13-22-14-16-8-4-6-11-19(16)23-15-17-9-3-5-10-18(17)20;;/h3-6,8-11,21-22H,2,7,12-15H2,1H3;2*1H
InChIKeyVNSBPBKYEJOCFU-UHFFFAOYSA-N
XLogP4.34
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.34
LogP ≤ 54.34
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-[(2-fluorophenyl)methoxy]phenyl]methyl]butan-1-amine
CID 4722045
N-ethyl-N'-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]propane-1,3-diamine
CID 17215574
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 4720382
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 17207210
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine;hydrochloride
CID 17295917
N-ethyl-N'-[(2-fluorophenyl)methyl]ethane-1,2-diamine
CID 83962888
N-[[3-ethoxy-2-[(2-fluorophenyl)methoxy]phenyl]methyl]octan-1-amine;hydrochloride
CID 17212617
N-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl]octan-1-amine
CID 4722755
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]octan-1-amine;hydrochloride
CID 17331211
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]butan-1-amine
CID 4722043
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-(4-methoxyphenyl)methanamine;hydrochloride
CID 17332601
N-[[2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 114847805

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]propane-1,3-diamine;dihydrochloride?
The IUPAC name of N-ethyl-N'-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]propane-1,3-diamine;dihydrochloride (CID 17215455) is N-ethyl-N'-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]propane-1,3-diamine;dihydrochloride.
What is the SMILES notation for N-ethyl-N'-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]propane-1,3-diamine;dihydrochloride?
The canonical SMILES for N-ethyl-N'-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]propane-1,3-diamine;dihydrochloride is CCNCCCNCc1ccccc1OCc1ccccc1F.Cl.Cl.
What is the InChIKey of N-ethyl-N'-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]propane-1,3-diamine;dihydrochloride?
The InChIKey is VNSBPBKYEJOCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O.2ClH/c1-2-21-12-7-13-22-14-16-8-4-6-11-19(16)23-15-17-9-3-5-10-18(17)20;;/h3-6,8-11,21-22H,2,7,12-15H2,1H3;2*1H.
What are the key properties of N-ethyl-N'-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]propane-1,3-diamine;dihydrochloride?
N-ethyl-N'-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]propane-1,3-diamine;dihydrochloride has a molecular weight of 389.34 g/mol, XLogP of 4.34, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]propane-1,3-diamine;dihydrochloride is sourced from PubChem (CID 17215455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).