2-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine

C14H23FN2O — CID 62569093

IUPAC2-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine
SMILESCOCCNCC(C)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C14H23FN2O/c1-12(10-16-8-9-18-3)17(2)11-13-4-6-14(15)7-5-13/h4-7,12,16H,8-11H2,1-3H3
InChIKeyNXZCKRYPAYYOGU-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.88
Rot. Bonds8

About 2-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine

2-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine (PubChem CID 62569093) has the molecular formula C14H23FN2O and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine
PubChem CID62569093
Molecular FormulaC14H23FN2O
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC Name2-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine
SMILESCOCCNCC(C)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C14H23FN2O/c1-12(10-16-8-9-18-3)17(2)11-13-4-6-14(15)7-5-13/h4-7,12,16H,8-11H2,1-3H3
InChIKeyNXZCKRYPAYYOGU-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-N-[(4-fluorophenyl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine
CID 62569094
2-N-[(4-fluorophenyl)methyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine
CID 62569276
1-N-butan-2-yl-2-N-[(4-fluorophenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 62569275
2-N-[(2-bromophenyl)methyl]-1-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine
CID 62570545
2-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine
CID 62720076
2-[(4-fluorophenyl)methyl-methylamino]propan-1-ol
CID 112701198
N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride
CID 119683673
N'-[(4-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62413226
4-N-[(4-fluorophenyl)methyl]-4-N-methyl-2-N-propylpentane-2,4-diamine
CID 64707610
2-cyclopropyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine
CID 104819419
N-[[4-(aminomethyl)phenyl]methyl]-1-methoxy-N-methylpropan-2-amine
CID 61453087
2-[(4-fluorophenyl)methyl-propanoylamino]-N-(2-methoxyethyl)propanamide
CID 133213000

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine (CID 62569093) is 2-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine is COCCNCC(C)N(C)Cc1ccc(F)cc1.
What is the InChIKey of 2-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine?
The InChIKey is NXZCKRYPAYYOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O/c1-12(10-16-8-9-18-3)17(2)11-13-4-6-14(15)7-5-13/h4-7,12,16H,8-11H2,1-3H3.
What are the key properties of 2-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine?
2-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine has a molecular weight of 254.35 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 62569093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).