N'-ethyl-N-[(2-fluoro-5-methylphenyl)methyl]-N'-propylethane-1,2-diamine

C15H25FN2 — CID 103720816

IUPACN'-ethyl-N-[(2-fluoro-5-methylphenyl)methyl]-N'-propylethane-1,2-diamine
SMILESCCCN(CC)CCNCc1cc(C)ccc1F
InChIInChI=1S/C15H25FN2/c1-4-9-18(5-2)10-8-17-12-14-11-13(3)6-7-15(14)16/h6-7,11,17H,4-5,8-10,12H2,1-3H3
InChIKeyJNLJPLVXEGNHCO-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.96
Rot. Bonds8

About N'-ethyl-N-[(2-fluoro-5-methylphenyl)methyl]-N'-propylethane-1,2-diamine

N'-ethyl-N-[(2-fluoro-5-methylphenyl)methyl]-N'-propylethane-1,2-diamine (PubChem CID 103720816) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is N'-ethyl-N-[(2-fluoro-5-methylphenyl)methyl]-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N-[(2-fluoro-5-methylphenyl)methyl]-N'-propylethane-1,2-diamine
PubChem CID103720816
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC NameN'-ethyl-N-[(2-fluoro-5-methylphenyl)methyl]-N'-propylethane-1,2-diamine
SMILESCCCN(CC)CCNCc1cc(C)ccc1F
InChIInChI=1S/C15H25FN2/c1-4-9-18(5-2)10-8-17-12-14-11-13(3)6-7-15(14)16/h6-7,11,17H,4-5,8-10,12H2,1-3H3
InChIKeyJNLJPLVXEGNHCO-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 61033992
N-[(2-fluoro-5-methylphenyl)methyl]pentan-1-amine
CID 115632172
N-[(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 61033867
N-[(2-bromo-3-fluorophenyl)methyl]-N'-ethyl-N'-propylethane-1,2-diamine
CID 114133555
3-[(2-fluoro-5-methylphenyl)methylamino]propan-1-ol
CID 115632162
N-[(3-chloro-2-fluorophenyl)methyl]-N'-ethyl-N'-propylethane-1,2-diamine
CID 103761972
N-[(2-fluoro-5-methylphenyl)methyl]but-2-yn-1-amine
CID 115866443
1-(2-fluoro-5-methylphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 103699779
N-[(2-chloro-6-fluorophenyl)methyl]-N'-ethyl-N'-propylethane-1,2-diamine
CID 103720745
N-ethyl-2-[(2-fluoro-5-methylphenyl)methylamino]-N-methylacetamide
CID 104923539
N-[(2-fluoro-5-methylphenyl)methyl]-2,2-dimethylpropan-1-amine
CID 103674230
N-benzyl-N'-ethyl-N'-propylethane-1,2-diamine
CID 62573632

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-[(2-fluoro-5-methylphenyl)methyl]-N'-propylethane-1,2-diamine?
The IUPAC name of N'-ethyl-N-[(2-fluoro-5-methylphenyl)methyl]-N'-propylethane-1,2-diamine (CID 103720816) is N'-ethyl-N-[(2-fluoro-5-methylphenyl)methyl]-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N-[(2-fluoro-5-methylphenyl)methyl]-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N-[(2-fluoro-5-methylphenyl)methyl]-N'-propylethane-1,2-diamine is CCCN(CC)CCNCc1cc(C)ccc1F.
What is the InChIKey of N'-ethyl-N-[(2-fluoro-5-methylphenyl)methyl]-N'-propylethane-1,2-diamine?
The InChIKey is JNLJPLVXEGNHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2/c1-4-9-18(5-2)10-8-17-12-14-11-13(3)6-7-15(14)16/h6-7,11,17H,4-5,8-10,12H2,1-3H3.
What are the key properties of N'-ethyl-N-[(2-fluoro-5-methylphenyl)methyl]-N'-propylethane-1,2-diamine?
N'-ethyl-N-[(2-fluoro-5-methylphenyl)methyl]-N'-propylethane-1,2-diamine has a molecular weight of 252.38 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-[(2-fluoro-5-methylphenyl)methyl]-N'-propylethane-1,2-diamine is sourced from PubChem (CID 103720816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).